N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline

C15H22N2 — CID 139398844

IUPACN-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline
SMILESCCC/N=C/C(=C(C)C)c1ccc(NC)cc1
InChIInChI=1S/C15H22N2/c1-5-10-17-11-15(12(2)3)13-6-8-14(16-4)9-7-13/h6-9,11,16H,5,10H2,1-4H3/b17-11+
InChIKeyJJDDWHCKBZONGW-GZTJUZNOSA-N
MW230.35 g/mol
LogP4.00
Rot. Bonds5

About N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline

N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline (PubChem CID 139398844) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline
PubChem CID139398844
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline
SMILESCCC/N=C/C(=C(C)C)c1ccc(NC)cc1
InChIInChI=1S/C15H22N2/c1-5-10-17-11-15(12(2)3)13-6-8-14(16-4)9-7-13/h6-9,11,16H,5,10H2,1-4H3/b17-11+
InChIKeyJJDDWHCKBZONGW-GZTJUZNOSA-N
XLogP4.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
CID 21400968
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
N-ethyl-4-[1-[4-(ethylamino)phenyl]-2-methylprop-1-enyl]aniline
CID 21400955
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
N-methyl-4-(2-methylprop-1-enyl)aniline
CID 54423846
[4-(methylamino)benzoyl]oxidanium
CID 20625574
N-(3-ethylpentan-2-yl)-4-(methylamino)benzamide
CID 63838621
N-(3-ethylpentan-3-yl)-4-(methylamino)benzamide
CID 65042626
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
CID 143697278
2-propoxyethyl 4-(methylamino)benzoate
CID 104698977
1-[4-(propylamino)phenyl]ethanone
CID 7304598
1-(4-ethylphenyl)-N-propylethanimine
CID 146572817

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline?
The IUPAC name of N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline (CID 139398844) is N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline?
The canonical SMILES for N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline is CCC/N=C/C(=C(C)C)c1ccc(NC)cc1.
What is the InChIKey of N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline?
The InChIKey is JJDDWHCKBZONGW-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-10-17-11-15(12(2)3)13-6-8-14(16-4)9-7-13/h6-9,11,16H,5,10H2,1-4H3/b17-11+.
What are the key properties of N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline?
N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline has a molecular weight of 230.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline is sourced from PubChem (CID 139398844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).