N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine

C17H27N — CID 62528938

IUPACN-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H27N/c1-4-5-16(12-18-17-8-9-17)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,4-5,8-9,11-12H2,1-3H3
InChIKeySFVPGLHHHAEYSS-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.01
Rot. Bonds7

About N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine

N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine (PubChem CID 62528938) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
PubChem CID62528938
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H27N/c1-4-5-16(12-18-17-8-9-17)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,4-5,8-9,11-12H2,1-3H3
InChIKeySFVPGLHHHAEYSS-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dimethylphenyl)methyl]-N-propylpentan-1-amine
CID 63497107
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
CID 62528327
N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 82930839
N-[2-[(4-bromo-2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 113471444
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine (CID 62528938) is N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine?
The InChIKey is SFVPGLHHHAEYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-5-16(12-18-17-8-9-17)11-15-7-6-13(2)14(3)10-15/h6-7,10,16-18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine?
N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine has a molecular weight of 245.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine is sourced from PubChem (CID 62528938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).