1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine

C20H45N3 — CID 18364431

IUPAC1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(CNCCN)(CC(C)C)CC(C)C
InChIInChI=1S/C20H45N3/c1-16(2)11-20(12-17(3)4,15-22-10-9-21)23(13-18(5)6)14-19(7)8/h16-19,22H,9-15,21H2,1-8H3
InChIKeyGXBHMNWXINYRNT-UHFFFAOYSA-N
MW327.60 g/mol
LogP3.98
Rot. Bonds13

About 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine

1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine (PubChem CID 18364431) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine
PubChem CID18364431
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC Name1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine
SMILESCC(C)CN(CC(C)C)C(CNCCN)(CC(C)C)CC(C)C
InChIInChI=1S/C20H45N3/c1-16(2)11-20(12-17(3)4,15-22-10-9-21)23(13-18(5)6)14-19(7)8/h16-19,22H,9-15,21H2,1-8H3
InChIKeyGXBHMNWXINYRNT-UHFFFAOYSA-N
XLogP3.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-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

Propoctamine
CID 107147
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N2-(cycloheptylmethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482174
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(R)-N2-(2-cyclopentylethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482209
N'-[2-(cyclopentadecylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride
CID 137649327
N'-(cyclopentadecylmethyl)ethane-1,2-diamine;dihydrochloride
CID 137653010
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
2-Ethylhexylethylenediamine
CID 19736225
Tetraoctyl diethylenetriamine
CID 129778915
N-[[4-[(tert-butylamino)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 77557
N-(2-Aminoethyl)-N'-(2-ethylhexyl)ethylenediamine
CID 3023073

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine (CID 18364431) is 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine is CC(C)CN(CC(C)C)C(CNCCN)(CC(C)C)CC(C)C.
What is the InChIKey of 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is GXBHMNWXINYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-16(2)11-20(12-17(3)4,15-22-10-9-21)23(13-18(5)6)14-19(7)8/h16-19,22H,9-15,21H2,1-8H3.
What are the key properties of 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine?
1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 327.60 g/mol, XLogP of 3.98, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 18364431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).