1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine

C9H18N2 — CID 43199370

IUPAC1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
SMILESC=CCN(CC=C)CC(C)N
InChIInChI=1S/C9H18N2/c1-4-6-11(7-5-2)8-9(3)10/h4-5,9H,1-2,6-8,10H2,3H3
InChIKeyAJCOYLQMTBCUQT-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.01
Rot. Bonds6

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

1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine (PubChem CID 43199370) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
PubChem CID43199370
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine
SMILESC=CCN(CC=C)CC(C)N
InChIInChI=1S/C9H18N2/c1-4-6-11(7-5-2)8-9(3)10/h4-5,9H,1-2,6-8,10H2,3H3
InChIKeyAJCOYLQMTBCUQT-UHFFFAOYSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
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)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine (CID 43199370) is 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine is C=CCN(CC=C)CC(C)N.
What is the InChIKey of 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
The InChIKey is AJCOYLQMTBCUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-11(7-5-2)8-9(3)10/h4-5,9H,1-2,6-8,10H2,3H3.
What are the key properties of 1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine?
1-N,1-N-bis(prop-2-enyl)propane-1,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 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)propane-1,2-diamine is sourced from PubChem (CID 43199370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).