3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol

C16H31NO — CID 165490883

IUPAC3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)C1CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-11(2)14-7-6-13(18)8-15(14)17(5)12-9-16(3,4)10-12/h11-15,18H,6-10H2,1-5H3
InChIKeyVTXAFQRDHZRYAK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds3

About 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol

3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490883) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490883
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)C1CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-11(2)14-7-6-13(18)8-15(14)17(5)12-9-16(3,4)10-12/h11-15,18H,6-10H2,1-5H3
InChIKeyVTXAFQRDHZRYAK-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol (CID 165490883) is 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)C1CC(C)(C)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is VTXAFQRDHZRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-11(2)14-7-6-13(18)8-15(14)17(5)12-9-16(3,4)10-12/h11-15,18H,6-10H2,1-5H3.
What are the key properties of 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol?
3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclobutyl)-methylamino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).