1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine

C17H26N2O — CID 66394658

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine
SMILESCC(C)N1CCOC(CNCC2Cc3ccccc32)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-7-8-20-16(12-19)11-18-10-15-9-14-5-3-4-6-17(14)15/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyOHCBGIJPZZAGQY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.03
Rot. Bonds5

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine (PubChem CID 66394658) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine
PubChem CID66394658
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine
SMILESCC(C)N1CCOC(CNCC2Cc3ccccc32)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-7-8-20-16(12-19)11-18-10-15-9-14-5-3-4-6-17(14)15/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyOHCBGIJPZZAGQY-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 64534300
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
CID 79220707
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine
CID 12832486
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 65244123
1-(1-propan-2-ylpyrrolidin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 63773492
(2R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propan-2-ol
CID 106932270

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine (CID 66394658) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine is CC(C)N1CCOC(CNCC2Cc3ccccc32)C1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine?
The InChIKey is OHCBGIJPZZAGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-7-8-20-16(12-19)11-18-10-15-9-14-5-3-4-6-17(14)15/h3-6,13,15-16,18H,7-12H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine is sourced from PubChem (CID 66394658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).