4-amino-5-methylcyclohexen-1-ol

C7H13NO — CID 163570612

IUPAC4-amino-5-methylcyclohexen-1-ol
SMILESCC1CC(O)=CCC1N
InChIInChI=1S/C7H13NO/c1-5-4-6(9)2-3-7(5)8/h2,5,7,9H,3-4,8H2,1H3
InChIKeyFYZYHDQBUNKNCK-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.19
Rot. Bonds

About 4-amino-5-methylcyclohexen-1-ol

4-amino-5-methylcyclohexen-1-ol (PubChem CID 163570612) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-amino-5-methylcyclohexen-1-ol.

Molecular Properties

Compound Name4-amino-5-methylcyclohexen-1-ol
PubChem CID163570612
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-amino-5-methylcyclohexen-1-ol
SMILESCC1CC(O)=CCC1N
InChIInChI=1S/C7H13NO/c1-5-4-6(9)2-3-7(5)8/h2,5,7,9H,3-4,8H2,1H3
InChIKeyFYZYHDQBUNKNCK-UHFFFAOYSA-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-Amino-6-fluorocyclohexen-1-ol
CID 68094659
6-(2-Aminoethyl)cyclohexen-1-ol
CID 164674912
4-Aminocyclohexen-1-ol
CID 68200175
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
(E,5S)-5-amino-7-methylnon-3-en-4-ol
CID 134566739
(3R,6R)-6-amino-3,5-dimethylcyclohexen-1-ol
CID 144225093
5-Amino-3-methylcyclohexen-1-ol
CID 163891271
(3S)-5-amino-3-methylcyclohexen-1-ol
CID 163891272
(4-Aminocyclohexen-1-yl)oxidanium
CID 163964844
(5S,6R)-5-amino-6-methylcyclohexen-1-ol
CID 173787370

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylcyclohexen-1-ol?
The IUPAC name of 4-amino-5-methylcyclohexen-1-ol (CID 163570612) is 4-amino-5-methylcyclohexen-1-ol.
What is the SMILES notation for 4-amino-5-methylcyclohexen-1-ol?
The canonical SMILES for 4-amino-5-methylcyclohexen-1-ol is CC1CC(O)=CCC1N.
What is the InChIKey of 4-amino-5-methylcyclohexen-1-ol?
The InChIKey is FYZYHDQBUNKNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-4-6(9)2-3-7(5)8/h2,5,7,9H,3-4,8H2,1H3.
What are the key properties of 4-amino-5-methylcyclohexen-1-ol?
4-amino-5-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 4-amino-5-methylcyclohexen-1-ol is sourced from PubChem (CID 163570612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).