2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine

C20H27N — CID 63407963

IUPAC2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)c1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-19(2,3)18-13-6-7-14-20(18,21)17-12-8-10-15-9-4-5-11-16(15)17/h4-5,8-12,18H,6-7,13-14,21H2,1-3H3
InChIKeyJLODWDVETNMBKS-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.23
Rot. Bonds1

About 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine

2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine (PubChem CID 63407963) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
PubChem CID63407963
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1(N)c1cccc2ccccc12
InChIInChI=1S/C20H27N/c1-19(2,3)18-13-6-7-14-20(18,21)17-12-8-10-15-9-4-5-11-16(15)17/h4-5,8-12,18H,6-7,13-14,21H2,1-3H3
InChIKeyJLODWDVETNMBKS-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine (CID 63407963) is 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine is CC(C)(C)C1CCCCC1(N)c1cccc2ccccc12.
What is the InChIKey of 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine?
The InChIKey is JLODWDVETNMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-19(2,3)18-13-6-7-14-20(18,21)17-12-8-10-15-9-4-5-11-16(15)17/h4-5,8-12,18H,6-7,13-14,21H2,1-3H3.
What are the key properties of 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine?
2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine is sourced from PubChem (CID 63407963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).