N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine

C19H31N — CID 116545575

IUPACN-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cccc(CC(C)C)c1
InChIInChI=1S/C19H31N/c1-4-20-19-12-7-5-6-11-18(19)17-10-8-9-16(14-17)13-15(2)3/h8-10,14-15,18-20H,4-7,11-13H2,1-3H3
InChIKeyRKSXMACSITXDPN-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds5

About N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine

N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine (PubChem CID 116545575) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
PubChem CID116545575
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1c1cccc(CC(C)C)c1
InChIInChI=1S/C19H31N/c1-4-20-19-12-7-5-6-11-18(19)17-10-8-9-16(14-17)13-15(2)3/h8-10,14-15,18-20H,4-7,11-13H2,1-3H3
InChIKeyRKSXMACSITXDPN-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
CID 116546483
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63509813
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-ethyl-2-pyridin-3-ylcycloheptan-1-amine
CID 62604063
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
N-ethyl-2-quinolin-7-ylcycloheptan-1-amine
CID 81224624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine (CID 116545575) is N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine is CCNC1CCCCCC1c1cccc(CC(C)C)c1.
What is the InChIKey of N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine?
The InChIKey is RKSXMACSITXDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-20-19-12-7-5-6-11-18(19)17-10-8-9-16(14-17)13-15(2)3/h8-10,14-15,18-20H,4-7,11-13H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine?
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine is sourced from PubChem (CID 116545575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).