(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine

C18H38N4 — CID 143942317

IUPAC(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine
SMILESC/C(=C\C=C(/C)CNCCC(C)(C)N)CNCCC(C)(C)N
InChIInChI=1S/C18H38N4/c1-15(13-21-11-9-17(3,4)19)7-8-16(2)14-22-12-10-18(5,6)20/h7-8,21-22H,9-14,19-20H2,1-6H3/b15-7+,16-8+
InChIKeyUSHWJVIMKMAJIL-BGPOSVGRSA-N
MW310.53 g/mol
LogP2.31
Rot. Bonds11

About (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine

(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine (PubChem CID 143942317) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine.

Molecular Properties

Compound Name(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine
PubChem CID143942317
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine
SMILESC/C(=C\C=C(/C)CNCCC(C)(C)N)CNCCC(C)(C)N
InChIInChI=1S/C18H38N4/c1-15(13-21-11-9-17(3,4)19)7-8-16(2)14-22-12-10-18(5,6)20/h7-8,21-22H,9-14,19-20H2,1-6H3/b15-7+,16-8+
InChIKeyUSHWJVIMKMAJIL-BGPOSVGRSA-N
XLogP2.31
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-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-(2-methoxyethyl)-3-methylbutane-1,3-diamine
CID 64681637
1,3-bis(3-amino-3-methylbutyl)urea
CID 57132774
1,3-bis(3-amino-3-methylbutyl)thiourea
CID 54335220
1-[(3-amino-3-methylbutyl)amino]ethanol
CID 174756384
N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 143508442
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine
CID 79337591
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
(3-amino-3-methylbutyl)cyanamide
CID 57302490
3-amino-3-methylbutan-1-ol
CID 641000
3-chloro-2-methyl-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 106437777

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine?
The IUPAC name of (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine (CID 143942317) is (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine.
What is the SMILES notation for (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine?
The canonical SMILES for (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine is C/C(=C\C=C(/C)CNCCC(C)(C)N)CNCCC(C)(C)N.
What is the InChIKey of (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine?
The InChIKey is USHWJVIMKMAJIL-BGPOSVGRSA-N. The full InChI is InChI=1S/C18H38N4/c1-15(13-21-11-9-17(3,4)19)7-8-16(2)14-22-12-10-18(5,6)20/h7-8,21-22H,9-14,19-20H2,1-6H3/b15-7+,16-8+.
What are the key properties of (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine?
(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine has a molecular weight of 310.53 g/mol, XLogP of 2.31, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine is sourced from PubChem (CID 143942317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).