N-(4-butylphenyl)-4-ethylcycloheptan-1-amine

C19H31N — CID 65082977

IUPACN-(4-butylphenyl)-4-ethylcycloheptan-1-amine
SMILESCCCCc1ccc(NC2CCCC(CC)CC2)cc1
InChIInChI=1S/C19H31N/c1-3-5-7-17-11-14-19(15-12-17)20-18-9-6-8-16(4-2)10-13-18/h11-12,14-16,18,20H,3-10,13H2,1-2H3
InChIKeyJHIINIBURKCDCU-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.80
Rot. Bonds6

About N-(4-butylphenyl)-4-ethylcycloheptan-1-amine

N-(4-butylphenyl)-4-ethylcycloheptan-1-amine (PubChem CID 65082977) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-ethylcycloheptan-1-amine
PubChem CID65082977
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(4-butylphenyl)-4-ethylcycloheptan-1-amine
SMILESCCCCc1ccc(NC2CCCC(CC)CC2)cc1
InChIInChI=1S/C19H31N/c1-3-5-7-17-11-14-19(15-12-17)20-18-9-6-8-16(4-2)10-13-18/h11-12,14-16,18,20H,3-10,13H2,1-2H3
InChIKeyJHIINIBURKCDCU-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[(4-ethylcycloheptyl)amino]phenyl]acetonitrile
CID 65084249
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
4-ethyl-N-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 65082802
N-(4-pentylphenyl)oxepan-4-amine
CID 65076671
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
N-[(4-butylphenyl)methyl]cyclobutanamine
CID 98783334
4-ethyl-N-(3,4,5-trifluorophenyl)cycloheptan-1-amine
CID 65083616
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
CID 65083101
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
N-(4-ethylphenyl)cyclododecanamine
CID 63422898
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-ethylcycloheptan-1-amine?
The IUPAC name of N-(4-butylphenyl)-4-ethylcycloheptan-1-amine (CID 65082977) is N-(4-butylphenyl)-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-(4-butylphenyl)-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-(4-butylphenyl)-4-ethylcycloheptan-1-amine is CCCCc1ccc(NC2CCCC(CC)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-ethylcycloheptan-1-amine?
The InChIKey is JHIINIBURKCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-7-17-11-14-19(15-12-17)20-18-9-6-8-16(4-2)10-13-18/h11-12,14-16,18,20H,3-10,13H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-4-ethylcycloheptan-1-amine?
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65082977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).