N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine

C20H31N — CID 116546483

IUPACN-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)Cc1cccc(C2CCCCC2CNC2CC2)c1
InChIInChI=1S/C20H31N/c1-15(2)12-16-6-5-8-17(13-16)20-9-4-3-7-18(20)14-21-19-10-11-19/h5-6,8,13,15,18-21H,3-4,7,9-12,14H2,1-2H3
InChIKeyGYAMIODHDPSZEN-UHFFFAOYSA-N
MW285.48 g/mol
LogP4.91
Rot. Bonds6

About N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine

N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 116546483) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID116546483
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)Cc1cccc(C2CCCCC2CNC2CC2)c1
InChIInChI=1S/C20H31N/c1-15(2)12-16-6-5-8-17(13-16)20-9-4-3-7-18(20)14-21-19-10-11-19/h5-6,8,13,15,18-21H,3-4,7,9-12,14H2,1-2H3
InChIKeyGYAMIODHDPSZEN-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025221
N-ethyl-2-[3-(2-methylpropyl)phenyl]cycloheptan-1-amine
CID 116545575
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
CID 81024481
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
N-[[2-(4-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 81025016
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
N-[[2-(furan-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81024920
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
N-[[2-(2-methylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 81026613

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine (CID 116546483) is N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine is CC(C)Cc1cccc(C2CCCCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is GYAMIODHDPSZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-15(2)12-16-6-5-8-17(13-16)20-9-4-3-7-18(20)14-21-19-10-11-19/h5-6,8,13,15,18-21H,3-4,7,9-12,14H2,1-2H3.
What are the key properties of N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine?
N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 285.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-methylpropyl)phenyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 116546483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).