2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol

C14H29NO — CID 79127155

IUPAC2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-11(2)13(5,16)14(10-15)8-6-12(3,4)7-9-14/h11,16H,6-10,15H2,1-5H3
InChIKeyLCGVIRWEPIAPSZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.94
Rot. Bonds3

About 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol (PubChem CID 79127155) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
PubChem CID79127155
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)C1(CN)CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-11(2)13(5,16)14(10-15)8-6-12(3,4)7-9-14/h11,16H,6-10,15H2,1-5H3
InChIKeyLCGVIRWEPIAPSZ-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol?
The IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol (CID 79127155) is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol is CC(C)C(C)(O)C1(CN)CCC(C)(C)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol?
The InChIKey is LCGVIRWEPIAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)13(5,16)14(10-15)8-6-12(3,4)7-9-14/h11,16H,6-10,15H2,1-5H3.
What are the key properties of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol?
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-methylbutan-2-ol is sourced from PubChem (CID 79127155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).