3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine

C16H38N4 — CID 130305440

IUPAC3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine
SMILESCCCCCN(C)CCC(CC)NCCN(C)CCN
InChIInChI=1S/C16H38N4/c1-5-7-8-12-19(3)13-9-16(6-2)18-11-15-20(4)14-10-17/h16,18H,5-15,17H2,1-4H3
InChIKeyZJAZTMQIKRHVBG-UHFFFAOYSA-N
MW286.51 g/mol
LogP1.76
Rot. Bonds14

About 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine

3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine (PubChem CID 130305440) has the molecular formula C16H38N4 and a molecular weight of 286.51 g/mol. Its IUPAC name is 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine
PubChem CID130305440
Molecular FormulaC16H38N4
Molecular Weight286.51 g/mol
Exact Mass286.31
IUPAC Name3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine
SMILESCCCCCN(C)CCC(CC)NCCN(C)CCN
InChIInChI=1S/C16H38N4/c1-5-7-8-12-19(3)13-9-16(6-2)18-11-15-20(4)14-10-17/h16,18H,5-15,17H2,1-4H3
InChIKeyZJAZTMQIKRHVBG-UHFFFAOYSA-N
XLogP1.76
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-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

1-N-butyl-3-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]-1-N-methylpentane-1,3-diamine
CID 134400911
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
CID 63028489
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
N-pentylheptan-3-amine
CID 63944300
N-tridecylpentadecan-3-amine
CID 88820168
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N-hexan-3-ylhexan-1-amine
CID 62117591
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-butyl-N-methylpentan-1-amine
CID 54060013

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine?
The IUPAC name of 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine (CID 130305440) is 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine.
What is the SMILES notation for 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine?
The canonical SMILES for 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine is CCCCCN(C)CCC(CC)NCCN(C)CCN.
What is the InChIKey of 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine?
The InChIKey is ZJAZTMQIKRHVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4/c1-5-7-8-12-19(3)13-9-16(6-2)18-11-15-20(4)14-10-17/h16,18H,5-15,17H2,1-4H3.
What are the key properties of 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine?
3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine has a molecular weight of 286.51 g/mol, XLogP of 1.76, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N-methyl-1-N-pentylpentane-1,3-diamine is sourced from PubChem (CID 130305440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).