2-[(4-methylcyclohexyl)amino]propan-1-ol

C10H21NO — CID 43499741

IUPAC2-[(4-methylcyclohexyl)amino]propan-1-ol
SMILESCC1CCC(NC(C)CO)CC1
InChIInChI=1S/C10H21NO/c1-8-3-5-10(6-4-8)11-9(2)7-12/h8-12H,3-7H2,1-2H3
InChIKeyKSDLHSRKKQKERS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds3

About 2-[(4-methylcyclohexyl)amino]propan-1-ol

2-[(4-methylcyclohexyl)amino]propan-1-ol (PubChem CID 43499741) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)amino]propan-1-ol
PubChem CID43499741
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[(4-methylcyclohexyl)amino]propan-1-ol
SMILESCC1CCC(NC(C)CO)CC1
InChIInChI=1S/C10H21NO/c1-8-3-5-10(6-4-8)11-9(2)7-12/h8-12H,3-7H2,1-2H3
InChIKeyKSDLHSRKKQKERS-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 2-[(4-methylcyclohexyl)amino]propan-1-ol (CID 43499741) is 2-[(4-methylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-methylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-methylcyclohexyl)amino]propan-1-ol is CC1CCC(NC(C)CO)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)amino]propan-1-ol?
The InChIKey is KSDLHSRKKQKERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-3-5-10(6-4-8)11-9(2)7-12/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-[(4-methylcyclohexyl)amino]propan-1-ol?
2-[(4-methylcyclohexyl)amino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 43499741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).