2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C11H22N2 — CID 65228087

IUPAC2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(CC)CN
InChIInChI=1S/C11H22N2/c1-4-7-13(8-5-2)10-11(6-3)9-12/h4-5,11H,1-2,6-10,12H2,3H3
InChIKeyRZJBZFQBDQLEBP-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.65
Rot. Bonds8

About 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 65228087) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID65228087
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(CC)CN
InChIInChI=1S/C11H22N2/c1-4-7-13(8-5-2)10-11(6-3)9-12/h4-5,11H,1-2,6-10,12H2,3H3
InChIKeyRZJBZFQBDQLEBP-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.65
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 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 65228087) is 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CC(CC)CN.
What is the InChIKey of 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is RZJBZFQBDQLEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-13(8-5-2)10-11(6-3)9-12/h4-5,11H,1-2,6-10,12H2,3H3.
What are the key properties of 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 65228087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).