2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H33NO — CID 106200952

IUPAC2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(OCCC2CCC2)C1
InChIInChI=1S/C17H33NO/c1-4-17(2,3)14-8-9-15(18)16(12-14)19-11-10-13-6-5-7-13/h13-16H,4-12,18H2,1-3H3
InChIKeyLWGKDQXBGQLZKI-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 106200952) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID106200952
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(OCCC2CCC2)C1
InChIInChI=1S/C17H33NO/c1-4-17(2,3)14-8-9-15(18)16(12-14)19-11-10-13-6-5-7-13/h13-16H,4-12,18H2,1-3H3
InChIKeyLWGKDQXBGQLZKI-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 106200952) is 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(OCCC2CCC2)C1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is LWGKDQXBGQLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-17(2,3)14-8-9-15(18)16(12-14)19-11-10-13-6-5-7-13/h13-16H,4-12,18H2,1-3H3.
What are the key properties of 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 106200952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).