4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine

C18H35NO — CID 102899071

IUPAC4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC1CCC2(CCCC2)O1)C(C)C
InChIInChI=1S/C18H35NO/c1-5-12-19-15(4)17(14(2)3)13-16-8-11-18(20-16)9-6-7-10-18/h14-17,19H,5-13H2,1-4H3
InChIKeyYCWDPSYSALMAII-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.53
Rot. Bonds7

About 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine

4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine (PubChem CID 102899071) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
PubChem CID102899071
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC1CCC2(CCCC2)O1)C(C)C
InChIInChI=1S/C18H35NO/c1-5-12-19-15(4)17(14(2)3)13-16-8-11-18(20-16)9-6-7-10-18/h14-17,19H,5-13H2,1-4H3
InChIKeyYCWDPSYSALMAII-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
CID 102899086
2-[2-(1-bromoethyl)-3-methylbutyl]-1-oxaspiro[4.4]nonane
CID 102899958
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102900256
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 102900643
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
3-methyl-N-(2-methylpropyl)-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900270

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine?
The IUPAC name of 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine (CID 102899071) is 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine is CCCNC(C)C(CC1CCC2(CCCC2)O1)C(C)C.
What is the InChIKey of 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine?
The InChIKey is YCWDPSYSALMAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-12-19-15(4)17(14(2)3)13-16-8-11-18(20-16)9-6-7-10-18/h14-17,19H,5-13H2,1-4H3.
What are the key properties of 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine?
4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine has a molecular weight of 281.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine is sourced from PubChem (CID 102899071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).