N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine

C15H26N2 — CID 55072175

IUPACN-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
SMILESCCNCCCCCN(C)c1ccccc1C
InChIInChI=1S/C15H26N2/c1-4-16-12-8-5-9-13-17(3)15-11-7-6-10-14(15)2/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3
InChIKeyVWHYQRDYMPOVAL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds8

About N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine

N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine (PubChem CID 55072175) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
PubChem CID55072175
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
SMILESCCNCCCCCN(C)c1ccccc1C
InChIInChI=1S/C15H26N2/c1-4-16-12-8-5-9-13-17(3)15-11-7-6-10-14(15)2/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3
InChIKeyVWHYQRDYMPOVAL-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.21
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'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
N,2-dimethyl-N-propylaniline
CID 69435269
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
6-(N,2-dimethylanilino)hexan-3-one
CID 106801284
5-(N,2-dimethylanilino)pentanehydrazide
CID 63583823
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
CID 62555257
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine (CID 55072175) is N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine is CCNCCCCCN(C)c1ccccc1C.
What is the InChIKey of N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine?
The InChIKey is VWHYQRDYMPOVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-16-12-8-5-9-13-17(3)15-11-7-6-10-14(15)2/h6-7,10-11,16H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine?
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 55072175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).