N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine

C16H23N — CID 79328889

IUPACN-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1cccc(C)c1C)CNC1CC1
InChIInChI=1S/C16H23N/c1-4-14(11-17-16-8-9-16)10-15-7-5-6-12(2)13(15)3/h5-7,10,16-17H,4,8-9,11H2,1-3H3
InChIKeyLRLUOTLZMHMVBJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.85
Rot. Bonds5

About N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine

N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine (PubChem CID 79328889) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
PubChem CID79328889
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine
SMILESCCC(=Cc1cccc(C)c1C)CNC1CC1
InChIInChI=1S/C16H23N/c1-4-14(11-17-16-8-9-16)10-15-7-5-6-12(2)13(15)3/h5-7,10,16-17H,4,8-9,11H2,1-3H3
InChIKeyLRLUOTLZMHMVBJ-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-benzylidenebutyl)cyclopropanamine
CID 79329807
N-[2-[(2-nitrophenyl)methylidene]butyl]cyclopropanamine
CID 79329591
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
N-[2-[(2-prop-2-enoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79330119
N-[2-[(4-phenylphenyl)methylidene]butyl]cyclopropanamine
CID 79329058
N-[2-[(3-fluoro-4-methylphenyl)methylidene]butyl]cyclopropanamine
CID 79329589
N-[(2Z)-2-[(5-bromo-2-chlorophenyl)methylidene]butyl]cyclopropanamine
CID 114077256
N-[2-[(4-cyclopropylphenyl)methylidene]butyl]cyclopropanamine
CID 79978516
N-[(2Z)-2-[(2-methylquinolin-6-yl)methylidene]butyl]cyclopropanamine
CID 105379766
N-[2-(quinoxalin-2-ylmethylidene)butyl]cyclopropanamine
CID 79330116
N-[2-[(4-propoxyphenyl)methylidene]butyl]cyclopropanamine
CID 79329584
N-[(2Z)-2-[(4-bromo-3-fluorophenyl)methylidene]butyl]cyclopropanamine
CID 81441146

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine (CID 79328889) is N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine is CCC(=Cc1cccc(C)c1C)CNC1CC1.
What is the InChIKey of N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine?
The InChIKey is LRLUOTLZMHMVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-14(11-17-16-8-9-16)10-15-7-5-6-12(2)13(15)3/h5-7,10,16-17H,4,8-9,11H2,1-3H3.
What are the key properties of N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine?
N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine has a molecular weight of 229.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethylphenyl)methylidene]butyl]cyclopropanamine is sourced from PubChem (CID 79328889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).