2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine

C19H37N — CID 79829280

IUPAC2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC2CCCCC2(C)C)CC1
InChIInChI=1S/C19H37N/c1-6-18(2,3)15-10-12-16(13-11-15)20-17-9-7-8-14-19(17,4)5/h15-17,20H,6-14H2,1-5H3
InChIKeyQZNTZWQXWLSXGI-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds4

About 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine

2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine (PubChem CID 79829280) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine
PubChem CID79829280
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC2CCCCC2(C)C)CC1
InChIInChI=1S/C19H37N/c1-6-18(2,3)15-10-12-16(13-11-15)20-17-9-7-8-14-19(17,4)5/h15-17,20H,6-14H2,1-5H3
InChIKeyQZNTZWQXWLSXGI-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine (CID 79829280) is 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NC2CCCCC2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is QZNTZWQXWLSXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-6-18(2,3)15-10-12-16(13-11-15)20-17-9-7-8-14-19(17,4)5/h15-17,20H,6-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine?
2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 79829280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).