1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol

C17H33NO — CID 107450677

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(CN)(C2(O)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-5-4-8-17(19,11-15)16(12-18)9-6-14(3)7-10-16/h13-15,19H,4-12,18H2,1-3H3
InChIKeyVUYICOGUKBZLMC-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol

1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107450677) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107450677
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(CN)(C2(O)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-5-4-8-17(19,11-15)16(12-18)9-6-14(3)7-10-16/h13-15,19H,4-12,18H2,1-3H3
InChIKeyVUYICOGUKBZLMC-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol (CID 107450677) is 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol is CC1CCC(CN)(C2(O)CCCC(C(C)C)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is VUYICOGUKBZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)15-5-4-8-17(19,11-15)16(12-18)9-6-14(3)7-10-16/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107450677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).