2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol

C16H31NO — CID 78993404

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCC(C)CCN(C1CC1)C1CC(C)(C)CCC1O
InChIInChI=1S/C16H31NO/c1-12(2)8-10-17(13-5-6-13)14-11-16(3,4)9-7-15(14)18/h12-15,18H,5-11H2,1-4H3
InChIKeyDESDOKFMTNXNBL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds5

About 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol

2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol (PubChem CID 78993404) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
PubChem CID78993404
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCC(C)CCN(C1CC1)C1CC(C)(C)CCC1O
InChIInChI=1S/C16H31NO/c1-12(2)8-10-17(13-5-6-13)14-11-16(3,4)9-7-15(14)18/h12-15,18H,5-11H2,1-4H3
InChIKeyDESDOKFMTNXNBL-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol (CID 78993404) is 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol is CC(C)CCN(C1CC1)C1CC(C)(C)CCC1O.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is DESDOKFMTNXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)8-10-17(13-5-6-13)14-11-16(3,4)9-7-15(14)18/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol?
2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 78993404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).