4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine

C70H140N8O3 — CID 158277808

IUPAC4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)CC1CCNCC1.CC(C)CC1CCOC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1.CC(C)CN1CCOc2ccccc21
InChIInChI=1S/C12H17NO.2C9H19N.C8H18N2.C8H17NO.2C8H17N.C8H16O/c1-10(2)9-13-7-8-14-12-6-4-3-5-11(12)13;1-8(2)7-9-3-5-10-6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-8/h3-6,10H,7-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyGJVFTXOMDPQCSH-UHFFFAOYSA-N
MW1141.94 g/mol
LogP13.67
Rot. Bonds15

About 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine

4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine (PubChem CID 158277808) has the molecular formula C70H140N8O3 and a molecular weight of 1141.94 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
PubChem CID158277808
Molecular FormulaC70H140N8O3
Molecular Weight1141.94 g/mol
Exact Mass1141.10
IUPAC Name4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1.CC(C)CC1CCNCC1.CC(C)CC1CCOC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1.CC(C)CN1CCOc2ccccc21
InChIInChI=1S/C12H17NO.2C9H19N.C8H18N2.C8H17NO.2C8H17N.C8H16O/c1-10(2)9-13-7-8-14-12-6-4-3-5-11(12)13;1-8(2)7-9-3-5-10-6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-8/h3-6,10H,7-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyGJVFTXOMDPQCSH-UHFFFAOYSA-N
XLogP13.67
TPSA79.98 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001141.94
LogP ≤ 513.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine with MolForge

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Related Compounds

1-[[(2R,4S,5S)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 28991163
1-azabicyclo[2.2.2]octan-3-yl(3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 18956120
3,4-dihydro-2H-1,4-benzoxazin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 18956122
N-(3,4-dihydro-2H-1,4-benzoxazin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 53719049
3,4-dihydro-2H-1,4-benzoxazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanamine
CID 54542324
3,4-dihydro-2H-1,4-benzoxazin-3-yl-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 70085392
4-[4-(3-Azabicyclo[3.1.0]hexan-1-yl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1,4-benzoxazine
CID 70814149
10-[7-(4,4a-dihydrophenoxazin-10-yl)-9,9-dimethyl-3,8a,10,10a-tetrahydro-2H-acridin-2-yl]-1,10a-dihydrophenoxazine
CID 156533416
2-Methylpropylcyclohexane;2-methylpropylcyclopentane;4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine
CID 157189352
(4aS)-8-tert-butyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;(4aR)-8-tert-butyl-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 158669443
(1R,4R)-2-tert-butyl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-2,3-dihydro-1,4-benzoxazine
CID 159354354
1-Benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol
CID 159486851

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
The IUPAC name of 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine (CID 158277808) is 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
The canonical SMILES for 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine is CC(C)C1CCNCC1.CC(C)CC1CCNCC1.CC(C)CC1CCOC1.CC(C)CN1CCCC1.CC(C)CN1CCCCC1.CC(C)CN1CCNCC1.CC(C)CN1CCOCC1.CC(C)CN1CCOc2ccccc21.
What is the InChIKey of 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
The InChIKey is GJVFTXOMDPQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.2C9H19N.C8H18N2.C8H17NO.2C8H17N.C8H16O/c1-10(2)9-13-7-8-14-12-6-4-3-5-11(12)13;1-8(2)7-9-3-5-10-6-4-9;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-10-5-3-9-4-6-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-8/h3-6,10H,7-9H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine?
4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine has a molecular weight of 1141.94 g/mol, XLogP of 13.67, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazine;4-(2-methylpropyl)morpholine;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;4-propan-2-ylpiperidine is sourced from PubChem (CID 158277808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).