3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

C16H33NO — CID 165490884

IUPAC3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-12(2)14-8-7-13(18)11-15(14)17(6)10-9-16(3,4)5/h12-15,18H,7-11H2,1-6H3
InChIKeyFKKASIGVWJINKJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.54
Rot. Bonds4

About 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490884) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490884
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CCC(C)(C)C
InChIInChI=1S/C16H33NO/c1-12(2)14-8-7-13(18)11-15(14)17(6)10-9-16(3,4)5/h12-15,18H,7-11H2,1-6H3
InChIKeyFKKASIGVWJINKJ-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165490884) is 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)CCC(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is FKKASIGVWJINKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)14-8-7-13(18)11-15(14)17(6)10-9-16(3,4)5/h12-15,18H,7-11H2,1-6H3.
What are the key properties of 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).