(1-amino-3,3,5-trimethylcyclohexyl)methanol

C10H21NO — CID 54594611

IUPAC(1-amino-3,3,5-trimethylcyclohexyl)methanol
SMILESCC1CC(C)(C)CC(N)(CO)C1
InChIInChI=1S/C10H21NO/c1-8-4-9(2,3)6-10(11,5-8)7-12/h8,12H,4-7,11H2,1-3H3
InChIKeyPYPLUNYMZUDMPI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.52
Rot. Bonds1

About (1-amino-3,3,5-trimethylcyclohexyl)methanol

(1-amino-3,3,5-trimethylcyclohexyl)methanol (PubChem CID 54594611) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-amino-3,3,5-trimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-amino-3,3,5-trimethylcyclohexyl)methanol
PubChem CID54594611
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1-amino-3,3,5-trimethylcyclohexyl)methanol
SMILESCC1CC(C)(C)CC(N)(CO)C1
InChIInChI=1S/C10H21NO/c1-8-4-9(2,3)6-10(11,5-8)7-12/h8,12H,4-7,11H2,1-3H3
InChIKeyPYPLUNYMZUDMPI-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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-amino-3,3,5-trimethylcyclohexyl)methanol?
The IUPAC name of (1-amino-3,3,5-trimethylcyclohexyl)methanol (CID 54594611) is (1-amino-3,3,5-trimethylcyclohexyl)methanol.
What is the SMILES notation for (1-amino-3,3,5-trimethylcyclohexyl)methanol?
The canonical SMILES for (1-amino-3,3,5-trimethylcyclohexyl)methanol is CC1CC(C)(C)CC(N)(CO)C1.
What is the InChIKey of (1-amino-3,3,5-trimethylcyclohexyl)methanol?
The InChIKey is PYPLUNYMZUDMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-4-9(2,3)6-10(11,5-8)7-12/h8,12H,4-7,11H2,1-3H3.
What are the key properties of (1-amino-3,3,5-trimethylcyclohexyl)methanol?
(1-amino-3,3,5-trimethylcyclohexyl)methanol has a molecular weight of 171.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3,3,5-trimethylcyclohexyl)methanol is sourced from PubChem (CID 54594611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).