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

C11H28N4 — CID 10443319

IUPAC1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine
SMILESCC(N)CCNCCCCNCCCN
InChIInChI=1S/C11H28N4/c1-11(13)5-10-15-8-3-2-7-14-9-4-6-12/h11,14-15H,2-10,12-13H2,1H3
InChIKeyHRVWUGLKFLQAIY-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.03
Rot. Bonds11

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

1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine (PubChem CID 10443319) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine
PubChem CID10443319
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine
SMILESCC(N)CCNCCCCNCCCN
InChIInChI=1S/C11H28N4/c1-11(13)5-10-15-8-3-2-7-14-9-4-6-12/h11,14-15H,2-10,12-13H2,1H3
InChIKeyHRVWUGLKFLQAIY-UHFFFAOYSA-N
XLogP0.03
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine?
The IUPAC name of 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine (CID 10443319) is 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine?
The canonical SMILES for 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine is CC(N)CCNCCCCNCCCN.
What is the InChIKey of 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine?
The InChIKey is HRVWUGLKFLQAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-11(13)5-10-15-8-3-2-7-14-9-4-6-12/h11,14-15H,2-10,12-13H2,1H3.
What are the key properties of 1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine?
1-N-[4-(3-aminopropylamino)butyl]butane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 0.03, 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-aminopropylamino)butyl]butane-1,3-diamine is sourced from PubChem (CID 10443319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).