N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine

C15H24N2 — CID 23460287

IUPACN'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
SMILESC=CCNCCCCN(C)c1cccc(C)c1
InChIInChI=1S/C15H24N2/c1-4-10-16-11-5-6-12-17(3)15-9-7-8-14(2)13-15/h4,7-9,13,16H,1,5-6,10-12H2,2-3H3
InChIKeyHZHIBDXGFPCMJE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.99
Rot. Bonds8

About N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine

N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine (PubChem CID 23460287) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
PubChem CID23460287
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
SMILESC=CCNCCCCN(C)c1cccc(C)c1
InChIInChI=1S/C15H24N2/c1-4-10-16-11-5-6-12-17(3)15-9-7-8-14(2)13-15/h4,7-9,13,16H,1,5-6,10-12H2,2-3H3
InChIKeyHZHIBDXGFPCMJE-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dimethylphenyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62556066
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554878
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
N-(2-butoxyethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 55090228
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)prop-2-enamide
CID 76868918

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine (CID 23460287) is N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine is C=CCNCCCCN(C)c1cccc(C)c1.
What is the InChIKey of N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine?
The InChIKey is HZHIBDXGFPCMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-10-16-11-5-6-12-17(3)15-9-7-8-14(2)13-15/h4,7-9,13,16H,1,5-6,10-12H2,2-3H3.
What are the key properties of N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine?
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine is sourced from PubChem (CID 23460287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).