N-(2-benzylidenebutyl)cyclopropanamine

C14H19N — CID 79329807

IUPACN-(2-benzylidenebutyl)cyclopropanamine
SMILESCCC(=Cc1ccccc1)CNC1CC1
InChIInChI=1S/C14H19N/c1-2-12(11-15-14-8-9-14)10-13-6-4-3-5-7-13/h3-7,10,14-15H,2,8-9,11H2,1H3
InChIKeyLHPFUDHBYFBCEV-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.23
Rot. Bonds5

About N-(2-benzylidenebutyl)cyclopropanamine

N-(2-benzylidenebutyl)cyclopropanamine (PubChem CID 79329807) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(2-benzylidenebutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-benzylidenebutyl)cyclopropanamine
PubChem CID79329807
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(2-benzylidenebutyl)cyclopropanamine
SMILESCCC(=Cc1ccccc1)CNC1CC1
InChIInChI=1S/C14H19N/c1-2-12(11-15-14-8-9-14)10-13-6-4-3-5-7-13/h3-7,10,14-15H,2,8-9,11H2,1H3
InChIKeyLHPFUDHBYFBCEV-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146
N-[2-[(2-nitrophenyl)methylidene]butyl]cyclopropanamine
CID 79329591
N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
CID 79329589
N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
CID 79328889
N-[(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81156213
N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
CID 79330116
2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79330119

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylidenebutyl)cyclopropanamine?
The IUPAC name of N-(2-benzylidenebutyl)cyclopropanamine (CID 79329807) is N-(2-benzylidenebutyl)cyclopropanamine.
What is the SMILES notation for N-(2-benzylidenebutyl)cyclopropanamine?
The canonical SMILES for N-(2-benzylidenebutyl)cyclopropanamine is CCC(=Cc1ccccc1)CNC1CC1.
What is the InChIKey of N-(2-benzylidenebutyl)cyclopropanamine?
The InChIKey is LHPFUDHBYFBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-12(11-15-14-8-9-14)10-13-6-4-3-5-7-13/h3-7,10,14-15H,2,8-9,11H2,1H3.
What are the key properties of N-(2-benzylidenebutyl)cyclopropanamine?
N-(2-benzylidenebutyl)cyclopropanamine has a molecular weight of 201.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylidenebutyl)cyclopropanamine is sourced from PubChem (CID 79329807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).