1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine

C7H18N4 — CID 87661640

IUPAC1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine
SMILESCC=C(NCCN)NCCN
InChIInChI=1S/C7H18N4/c1-2-7(10-5-3-8)11-6-4-9/h2,10-11H,3-6,8-9H2,1H3
InChIKeySEZNTUKXGIKFSE-UHFFFAOYSA-N
MW158.25 g/mol
LogP-1.06
Rot. Bonds6

About 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine

1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine (PubChem CID 87661640) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine
PubChem CID87661640
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine
SMILESCC=C(NCCN)NCCN
InChIInChI=1S/C7H18N4/c1-2-7(10-5-3-8)11-6-4-9/h2,10-11H,3-6,8-9H2,1H3
InChIKeySEZNTUKXGIKFSE-UHFFFAOYSA-N
XLogP-1.06
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine (CID 87661640) is 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine is CC=C(NCCN)NCCN.
What is the InChIKey of 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine?
The InChIKey is SEZNTUKXGIKFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-2-7(10-5-3-8)11-6-4-9/h2,10-11H,3-6,8-9H2,1H3.
What are the key properties of 1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine?
1-N,1-N'-bis(2-aminoethyl)prop-1-ene-1,1-diamine has a molecular weight of 158.25 g/mol, XLogP of -1.06, 6 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(2-aminoethyl)prop-1-ene-1,1-diamine is sourced from PubChem (CID 87661640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).