[1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol

C10H21NO — CID 79124978

IUPAC[1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol
SMILESCC1(C)CCC(CN)(CO)CC1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-10(7-11,8-12)6-4-9/h12H,3-8,11H2,1-2H3
InChIKeyPFYFYMHNVPMAAJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.52
Rot. Bonds2

About [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol

[1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol (PubChem CID 79124978) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol
PubChem CID79124978
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol
SMILESCC1(C)CCC(CN)(CO)CC1
InChIInChI=1S/C10H21NO/c1-9(2)3-5-10(7-11,8-12)6-4-9/h12H,3-8,11H2,1-2H3
InChIKeyPFYFYMHNVPMAAJ-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol?
The IUPAC name of [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol (CID 79124978) is [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol?
The canonical SMILES for [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol is CC1(C)CCC(CN)(CO)CC1.
What is the InChIKey of [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol?
The InChIKey is PFYFYMHNVPMAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)3-5-10(7-11,8-12)6-4-9/h12H,3-8,11H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol?
[1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4,4-dimethylcyclohexyl]methanol is sourced from PubChem (CID 79124978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).