N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine

C15H24N2 — CID 62429801

IUPACN-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
SMILESCc1ccc(N(C)CCCCNC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-9-15(10-6-13)17(2)12-4-3-11-16-14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyAYJVCQPOVNUVRC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.96
Rot. Bonds7

About N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine

N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine (PubChem CID 62429801) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
PubChem CID62429801
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
SMILESCc1ccc(N(C)CCCCNC2CC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-9-15(10-6-13)17(2)12-4-3-11-16-14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKeyAYJVCQPOVNUVRC-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
2-(cyclopropylamino)-6-(N,4-dimethylanilino)-2-methylhexan-1-ol
CID 64789319
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201217
N'-methyl-N-(1-oxothian-4-yl)-N'-phenylpropane-1,3-diamine
CID 54981703
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
N'-methyl-N-(2-methylcyclohexyl)-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62555727

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine (CID 62429801) is N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine is Cc1ccc(N(C)CCCCNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
The InChIKey is AYJVCQPOVNUVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-9-15(10-6-13)17(2)12-4-3-11-16-14-7-8-14/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine?
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 62429801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).