N-(2-benzyl-4-methylheptyl)cyclopropanamine

C18H29N — CID 55196781

IUPACN-(2-benzyl-4-methylheptyl)cyclopropanamine
SMILESCCCC(C)CC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C18H29N/c1-3-7-15(2)12-17(14-19-18-10-11-18)13-16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,3,7,10-14H2,1-2H3
InChIKeyIVYWWNWGACFQHG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds9

About N-(2-benzyl-4-methylheptyl)cyclopropanamine

N-(2-benzyl-4-methylheptyl)cyclopropanamine (PubChem CID 55196781) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(2-benzyl-4-methylheptyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-benzyl-4-methylheptyl)cyclopropanamine
PubChem CID55196781
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(2-benzyl-4-methylheptyl)cyclopropanamine
SMILESCCCC(C)CC(CNC1CC1)Cc1ccccc1
InChIInChI=1S/C18H29N/c1-3-7-15(2)12-17(14-19-18-10-11-18)13-16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,3,7,10-14H2,1-2H3
InChIKeyIVYWWNWGACFQHG-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-2-[(4-methylphenyl)methyl]heptyl]cyclopropanamine
CID 63522593
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63496731
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
N-[4-ethyl-2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 82930839
N-[2-benzyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412311
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-4-methylheptyl)cyclopropanamine?
The IUPAC name of N-(2-benzyl-4-methylheptyl)cyclopropanamine (CID 55196781) is N-(2-benzyl-4-methylheptyl)cyclopropanamine.
What is the SMILES notation for N-(2-benzyl-4-methylheptyl)cyclopropanamine?
The canonical SMILES for N-(2-benzyl-4-methylheptyl)cyclopropanamine is CCCC(C)CC(CNC1CC1)Cc1ccccc1.
What is the InChIKey of N-(2-benzyl-4-methylheptyl)cyclopropanamine?
The InChIKey is IVYWWNWGACFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-7-15(2)12-17(14-19-18-10-11-18)13-16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,3,7,10-14H2,1-2H3.
What are the key properties of N-(2-benzyl-4-methylheptyl)cyclopropanamine?
N-(2-benzyl-4-methylheptyl)cyclopropanamine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-4-methylheptyl)cyclopropanamine is sourced from PubChem (CID 55196781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).