3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol

C9H15NO — CID 123502291

IUPAC3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol
SMILESNCCC(O)C1C=CC=CC1
InChIInChI=1S/C9H15NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-4,8-9,11H,5-7,10H2
InChIKeyOPBSKESEVPFGBZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol

3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol (PubChem CID 123502291) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol
PubChem CID123502291
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol
SMILESNCCC(O)C1C=CC=CC1
InChIInChI=1S/C9H15NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-4,8-9,11H,5-7,10H2
InChIKeyOPBSKESEVPFGBZ-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-cyclohex-3-en-1-ylethanol;hydrochloride
CID 90677520
2-Amino-1-cyclohex-3-enyl-ethanol
CID 13829883
(1R)-2-amino-1-cyclohexa-2,4-dien-1-ylethanol
CID 59515457
6-(3-Amino-2-methylpropyl)cyclohex-3-en-1-ol
CID 68186766
1-Amino-3-cyclohexa-2,4-dien-1-ylpropan-1-ol
CID 68241255
(6S)-6-[(2S)-3-amino-2-methylpropyl]cyclohex-3-en-1-ol
CID 89473215
1-[(2R)-2-aminocyclohex-3-en-1-yl]but-3-en-1-ol
CID 89864684
2-Amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 91522670
10-Amino-4-methyldec-6-en-3-ol
CID 91598548
6-(1-Aminoethyl)cyclohexa-2,4-dien-1-ol
CID 123385340
(1S,2S)-2-amino-1-(3-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 134533651
2-Amino-1-(1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanol
CID 141505616

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The IUPAC name of 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol (CID 123502291) is 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol is NCCC(O)C1C=CC=CC1.
What is the InChIKey of 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol?
The InChIKey is OPBSKESEVPFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-4,8-9,11H,5-7,10H2.
What are the key properties of 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol?
3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol has a molecular weight of 153.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexa-2,4-dien-1-ylpropan-1-ol is sourced from PubChem (CID 123502291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).