2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol

C9H17NO — CID 83905171

IUPAC2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
SMILESNCC1(O)CC2CCCC2C1
InChIInChI=1S/C9H17NO/c10-6-9(11)4-7-2-1-3-8(7)5-9/h7-8,11H,1-6,10H2
InChIKeyZPQNVXPGLFHKPV-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.89
Rot. Bonds1

About 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol

2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol (PubChem CID 83905171) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
PubChem CID83905171
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
SMILESNCC1(O)CC2CCCC2C1
InChIInChI=1S/C9H17NO/c10-6-9(11)4-7-2-1-3-8(7)5-9/h7-8,11H,1-6,10H2
InChIKeyZPQNVXPGLFHKPV-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 5016583
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 59649291
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
2-(nitromethyl)-1,3,3a,4,5,6,7,7a-octahydroinden-2-ol
CID 21358749
1-[1-(aminomethyl)cyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79126430
1-[1-(aminomethyl)cyclooctyl]-3-cyclopropylcyclohexan-1-ol
CID 80603544
2-ethynyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 175858950
4-amino-1-(aminomethyl)cyclohexan-1-ol
CID 105428674
3-(aminomethyl)-1-cyclobutylpyrrolidin-3-ol
CID 115013788
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-(aminomethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 83906776
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol?
The IUPAC name of 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol (CID 83905171) is 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol.
What is the SMILES notation for 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol?
The canonical SMILES for 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol is NCC1(O)CC2CCCC2C1.
What is the InChIKey of 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol?
The InChIKey is ZPQNVXPGLFHKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-6-9(11)4-7-2-1-3-8(7)5-9/h7-8,11H,1-6,10H2.
What are the key properties of 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol?
2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol is sourced from PubChem (CID 83905171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).