N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine

C18H32N2 — CID 63504265

IUPACN'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
SMILESCCCCCC(C)NCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C18H32N2/c1-6-7-8-9-17(4)19-12-13-20(5)18-11-10-15(2)14-16(18)3/h10-11,14,17,19H,6-9,12-13H2,1-5H3
InChIKeySBZOVBWBTMYEQP-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.30
Rot. Bonds9

About N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine

N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine (PubChem CID 63504265) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
PubChem CID63504265
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
SMILESCCCCCC(C)NCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C18H32N2/c1-6-7-8-9-17(4)19-12-13-20(5)18-11-10-15(2)14-16(18)3/h10-11,14,17,19H,6-9,12-13H2,1-5H3
InChIKeySBZOVBWBTMYEQP-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.30
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'-(2,4-dimethylphenyl)-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 55089398
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63503917
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-[2-(4-methylphenoxy)ethyl]heptan-2-amine
CID 60688116
1-N-(2,4-dimethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452564
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
N-nonan-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43129707

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine (CID 63504265) is N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine is CCCCCC(C)NCCN(C)c1ccc(C)cc1C.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
The InChIKey is SBZOVBWBTMYEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-8-9-17(4)19-12-13-20(5)18-11-10-15(2)14-16(18)3/h10-11,14,17,19H,6-9,12-13H2,1-5H3.
What are the key properties of N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine?
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63504265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).