1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine

C12H30N4 — CID 3081835

IUPAC1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine
SMILESCC(N)CCNCCCCNCCC(C)N
InChIInChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyLXKFTCVCBKNJNM-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.42
Rot. Bonds11

About 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine

1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine (PubChem CID 3081835) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine
PubChem CID3081835
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC Name1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine
SMILESCC(N)CCNCCCCNCCC(C)N
InChIInChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyLXKFTCVCBKNJNM-UHFFFAOYSA-N
XLogP0.42
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[4-(3-aminobutylamino)butyl]butane-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

Spermine
CID 1103
Norspermine
CID 78350
N1,N11-Diethylnorspermine
CID 4282
Caldopentamine
CID 83290
DI-Sec-butylamine
CID 12277
N1,N12-bis(ethyl)spermine
CID 4283
N,N'-bis(3-ammoniopropyl)butane-1,4-diaminium
CID 446718
Aminobutylhomospermidine
CID 6452022
N-Isopropylpropane-1,3-diamine
CID 76888
Thermospermine
CID 194365
N,N'-Diisopropyl-1,3-propanediamine
CID 144018
(Butan-2-yl)(butyl)amine
CID 4133797

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine?
The IUPAC name of 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine (CID 3081835) is 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine?
The canonical SMILES for 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine is CC(N)CCNCCCCNCCC(C)N.
What is the InChIKey of 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine?
The InChIKey is LXKFTCVCBKNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine?
1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.42, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(3-aminobutylamino)butyl]butane-1,3-diamine is sourced from PubChem (CID 3081835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).