1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol

C17H33NO — CID 79126602

IUPAC1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCCCC2C)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-7-10-16(12-18,11-8-15)17(19)9-5-4-6-14(17)3/h13-15,19H,4-12,18H2,1-3H3
InChIKeyDXKGQFPXSJYYBM-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds3

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

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol (PubChem CID 79126602) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
PubChem CID79126602
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
SMILESCC(C)C1CCC(CN)(C2(O)CCCCC2C)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-7-10-16(12-18,11-8-15)17(19)9-5-4-6-14(17)3/h13-15,19H,4-12,18H2,1-3H3
InChIKeyDXKGQFPXSJYYBM-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-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol (CID 79126602) is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol is CC(C)C1CCC(CN)(C2(O)CCCCC2C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol?
The InChIKey is DXKGQFPXSJYYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)15-7-10-16(12-18,11-8-15)17(19)9-5-4-6-14(17)3/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-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-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 79126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).