(3S)-5-amino-3-methylcyclohexen-1-ol

C7H13NO — CID 163891272

IUPAC(3S)-5-amino-3-methylcyclohexen-1-ol
SMILESC[C@@H]1C=C(O)CC(N)C1
InChIInChI=1S/C7H13NO/c1-5-2-6(8)4-7(9)3-5/h3,5-6,9H,2,4,8H2,1H3/t5-,6?/m0/s1
InChIKeyQBSXMCGLROGNQF-ZBHICJROSA-N
MW127.19 g/mol
LogP1.19
Rot. Bonds

About (3S)-5-amino-3-methylcyclohexen-1-ol

(3S)-5-amino-3-methylcyclohexen-1-ol (PubChem CID 163891272) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-5-amino-3-methylcyclohexen-1-ol.

Molecular Properties

Compound Name(3S)-5-amino-3-methylcyclohexen-1-ol
PubChem CID163891272
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-5-amino-3-methylcyclohexen-1-ol
SMILESC[C@@H]1C=C(O)CC(N)C1
InChIInChI=1S/C7H13NO/c1-5-2-6(8)4-7(9)3-5/h3,5-6,9H,2,4,8H2,1H3/t5-,6?/m0/s1
InChIKeyQBSXMCGLROGNQF-ZBHICJROSA-N
XLogP1.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Aminoethyl)cyclohexen-1-ol
CID 89194771
(5R,6S)-6-(chloroamino)-5-methylcyclohexen-1-ol
CID 89212773
(4R)-4-amino-5-methylcyclohexen-1-ol
CID 89490467
5-Aminocyclohexen-1-ol
CID 141536123
(3R,6R)-6-amino-3,5-dimethylcyclohexen-1-ol
CID 144225093
4-Amino-5-methylcyclohexen-1-ol
CID 163570612
5-Amino-3-methylcyclohexen-1-ol
CID 163891271
(5S,6R)-5-amino-6-methylcyclohexen-1-ol
CID 173787370

Frequently Asked Questions

What is the IUPAC name of (3S)-5-amino-3-methylcyclohexen-1-ol?
The IUPAC name of (3S)-5-amino-3-methylcyclohexen-1-ol (CID 163891272) is (3S)-5-amino-3-methylcyclohexen-1-ol.
What is the SMILES notation for (3S)-5-amino-3-methylcyclohexen-1-ol?
The canonical SMILES for (3S)-5-amino-3-methylcyclohexen-1-ol is C[C@@H]1C=C(O)CC(N)C1.
What is the InChIKey of (3S)-5-amino-3-methylcyclohexen-1-ol?
The InChIKey is QBSXMCGLROGNQF-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-2-6(8)4-7(9)3-5/h3,5-6,9H,2,4,8H2,1H3/t5-,6?/m0/s1.
What are the key properties of (3S)-5-amino-3-methylcyclohexen-1-ol?
(3S)-5-amino-3-methylcyclohexen-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-amino-3-methylcyclohexen-1-ol is sourced from PubChem (CID 163891272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).