N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine

C13H31N3 — CID 63727214

IUPACN'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)CCN(C)C
InChIInChI=1S/C13H31N3/c1-13(2)7-6-8-14-9-10-16(5)12-11-15(3)4/h13-14H,6-12H2,1-5H3
InChIKeyYYWKYCBGFCRNSO-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.51
Rot. Bonds10

About N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine (PubChem CID 63727214) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
PubChem CID63727214
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)CCN(C)C
InChIInChI=1S/C13H31N3/c1-13(2)7-6-8-14-9-10-16(5)12-11-15(3)4/h13-14H,6-12H2,1-5H3
InChIKeyYYWKYCBGFCRNSO-UHFFFAOYSA-N
XLogP1.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N-(4-methylpentyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666034
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
CID 63725817
N-(2-iodoethyl)-4-methylpentan-1-amine
CID 114505662
N'-methyl-N-(4-methylpentyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560797
N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
CID 106153170

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine (CID 63727214) is N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine is CC(C)CCCNCCN(C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine?
The InChIKey is YYWKYCBGFCRNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-13(2)7-6-8-14-9-10-16(5)12-11-15(3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 63727214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).