2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

C17H33NO — CID 55191888

IUPAC2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(C)CC2CCCCC2)C1
InChIInChI=1S/C17H33NO/c1-13(2)15-9-10-17(19)16(11-15)18(3)12-14-7-5-4-6-8-14/h13-17,19H,4-12H2,1-3H3
InChIKeyRAAOVWZNWOBBLG-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.68
Rot. Bonds4

About 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55191888) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID55191888
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(C)CC2CCCCC2)C1
InChIInChI=1S/C17H33NO/c1-13(2)15-9-10-17(19)16(11-15)18(3)12-14-7-5-4-6-8-14/h13-17,19H,4-12H2,1-3H3
InChIKeyRAAOVWZNWOBBLG-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 55191888) is 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N(C)CC2CCCCC2)C1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is RAAOVWZNWOBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)15-9-10-17(19)16(11-15)18(3)12-14-7-5-4-6-8-14/h13-17,19H,4-12H2,1-3H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55191888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).