1-[4-(aminomethyl)cyclohexyl]propan-2-ol

C10H21NO — CID 70069622

IUPAC1-[4-(aminomethyl)cyclohexyl]propan-2-ol
SMILESCC(O)CC1CCC(CN)CC1
InChIInChI=1S/C10H21NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h8-10,12H,2-7,11H2,1H3
InChIKeyUJEISYPWHFKPSQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-(aminomethyl)cyclohexyl]propan-2-ol

1-[4-(aminomethyl)cyclohexyl]propan-2-ol (PubChem CID 70069622) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)cyclohexyl]propan-2-ol
PubChem CID70069622
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[4-(aminomethyl)cyclohexyl]propan-2-ol
SMILESCC(O)CC1CCC(CN)CC1
InChIInChI=1S/C10H21NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h8-10,12H,2-7,11H2,1H3
InChIKeyUJEISYPWHFKPSQ-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)cyclohexyl]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)cyclohexyl]propan-2-ol (CID 70069622) is 1-[4-(aminomethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)cyclohexyl]propan-2-ol is CC(O)CC1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)cyclohexyl]propan-2-ol?
The InChIKey is UJEISYPWHFKPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h8-10,12H,2-7,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)cyclohexyl]propan-2-ol?
1-[4-(aminomethyl)cyclohexyl]propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 70069622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).