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

C9H16N2 — CID 22926430

IUPAC1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine
SMILESC=CCNC(=CC)NCC=C
InChIInChI=1S/C9H16N2/c1-4-7-10-9(6-3)11-8-5-2/h4-6,10-11H,1-2,7-8H2,3H3
InChIKeySTBZFYCNOYJUHR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.40
Rot. Bonds6

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

1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine (PubChem CID 22926430) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine
PubChem CID22926430
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine
SMILESC=CCNC(=CC)NCC=C
InChIInChI=1S/C9H16N2/c1-4-7-10-9(6-3)11-8-5-2/h4-6,10-11H,1-2,7-8H2,3H3
InChIKeySTBZFYCNOYJUHR-UHFFFAOYSA-N
XLogP1.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine (CID 22926430) is 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine is C=CCNC(=CC)NCC=C.
What is the InChIKey of 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine?
The InChIKey is STBZFYCNOYJUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7-10-9(6-3)11-8-5-2/h4-6,10-11H,1-2,7-8H2,3H3.
What are the key properties of 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine?
1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(prop-2-enyl)prop-1-ene-1,1-diamine is sourced from PubChem (CID 22926430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).