1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol

C14H27NO — CID 79123958

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC(CN)(C2(O)CCCC2C)C1
InChIInChI=1S/C14H27NO/c1-11-5-3-7-13(9-11,10-15)14(16)8-4-6-12(14)2/h11-12,16H,3-10,15H2,1-2H3
InChIKeyIZOATADGWNBWOO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.69
Rot. Bonds2

About 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol

1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol (PubChem CID 79123958) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
PubChem CID79123958
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
SMILESCC1CCCC(CN)(C2(O)CCCC2C)C1
InChIInChI=1S/C14H27NO/c1-11-5-3-7-13(9-11,10-15)14(16)8-4-6-12(14)2/h11-12,16H,3-10,15H2,1-2H3
InChIKeyIZOATADGWNBWOO-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
CID 79125926
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
1-[1-(aminomethyl)cyclobutyl]-2,3-dimethylcyclohexan-1-ol
CID 79123457
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
CID 79125209
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
1,1-diethyl-3-methylcyclohexane
CID 19090157
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol (CID 79123958) is 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol is CC1CCCC(CN)(C2(O)CCCC2C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol?
The InChIKey is IZOATADGWNBWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-5-3-7-13(9-11,10-15)14(16)8-4-6-12(14)2/h11-12,16H,3-10,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol?
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79123958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).