N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine

C16H26N2 — CID 55072163

IUPACN-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
SMILESCc1cccc(N(C)CCCCCNC2CC2)c1
InChIInChI=1S/C16H26N2/c1-14-7-6-8-16(13-14)18(2)12-5-3-4-11-17-15-9-10-15/h6-8,13,15,17H,3-5,9-12H2,1-2H3
InChIKeyCQUGJGYFXYCPJH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.35
Rot. Bonds8

About N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine

N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine (PubChem CID 55072163) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
PubChem CID55072163
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
SMILESCc1cccc(N(C)CCCCCNC2CC2)c1
InChIInChI=1S/C16H26N2/c1-14-7-6-8-16(13-14)18(2)12-5-3-4-11-17-15-9-10-15/h6-8,13,15,17H,3-5,9-12H2,1-2H3
InChIKeyCQUGJGYFXYCPJH-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N-cyclopentyl-N'-(3,5-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 55087778
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045
N-cyclohexyl-N'-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 55087484
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-(4-ethoxybutyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554878
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
2-(cyclopropylamino)-3-(N,3-dimethylanilino)propan-1-ol
CID 64789933

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine (CID 55072163) is N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine is Cc1cccc(N(C)CCCCCNC2CC2)c1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine?
The InChIKey is CQUGJGYFXYCPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-7-6-8-16(13-14)18(2)12-5-3-4-11-17-15-9-10-15/h6-8,13,15,17H,3-5,9-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine?
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.35, 8 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'-(3-methylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 55072163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).