1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine

C9H22N4 — CID 87661844

IUPAC1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine
SMILESCC=C(NCCCN)NCCCN
InChIInChI=1S/C9H22N4/c1-2-9(12-7-3-5-10)13-8-4-6-11/h2,12-13H,3-8,10-11H2,1H3
InChIKeyAUXJCFGBGNEIJJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP-0.28
Rot. Bonds8

About 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine

1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine (PubChem CID 87661844) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine
PubChem CID87661844
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine
SMILESCC=C(NCCCN)NCCCN
InChIInChI=1S/C9H22N4/c1-2-9(12-7-3-5-10)13-8-4-6-11/h2,12-13H,3-8,10-11H2,1H3
InChIKeyAUXJCFGBGNEIJJ-UHFFFAOYSA-N
XLogP-0.28
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-0.28
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,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine (CID 87661844) is 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine is CC=C(NCCCN)NCCCN.
What is the InChIKey of 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine?
The InChIKey is AUXJCFGBGNEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-2-9(12-7-3-5-10)13-8-4-6-11/h2,12-13H,3-8,10-11H2,1H3.
What are the key properties of 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine?
1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine has a molecular weight of 186.30 g/mol, XLogP of -0.28, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(3-aminopropyl)prop-1-ene-1,1-diamine is sourced from PubChem (CID 87661844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).