N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine

C19H31N — CID 65083892

IUPACN-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCCC(C)c1ccc(NC2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C19H31N/c1-5-15(2)16-8-10-18(11-9-16)20-17-7-6-13-19(3,4)14-12-17/h8-11,15,17,20H,5-7,12-14H2,1-4H3
InChIKeyHNFGLENPDWHCDO-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.97
Rot. Bonds4

About N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine

N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083892) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65083892
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCCC(C)c1ccc(NC2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C19H31N/c1-5-15(2)16-8-10-18(11-9-16)20-17-7-6-13-19(3,4)14-12-17/h8-11,15,17,20H,5-7,12-14H2,1-4H3
InChIKeyHNFGLENPDWHCDO-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-N-cyclopentylaniline
CID 43681058
N-(4-butan-2-ylphenyl)azepan-4-amine
CID 103981065
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083964
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554
4-[(4,4-dimethylcycloheptyl)amino]benzoic acid
CID 65083920
6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
CID 114051596
N-(3-chloro-4-ethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083347
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
CID 65083512
2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763771
(4-butan-2-ylphenyl)-(2,2-dimethylcyclopentyl)methanamine
CID 107177011
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine (CID 65083892) is N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine is CCC(C)c1ccc(NC2CCCC(C)(C)CC2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is HNFGLENPDWHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-15(2)16-8-10-18(11-9-16)20-17-7-6-13-19(3,4)14-12-17/h8-11,15,17,20H,5-7,12-14H2,1-4H3.
What are the key properties of N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine?
N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).