2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C13H27N3 — CID 103189497

IUPAC2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC(C)=C1CNC1)C(C)CN(C)C
InChIInChI=1S/C13H27N3/c1-6-16(12(3)10-15(4)5)9-11(2)13-7-14-8-13/h12,14H,6-10H2,1-5H3
InChIKeyZECUSWVDHRBXBL-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.18
Rot. Bonds6

About 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189497) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189497
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC(C)=C1CNC1)C(C)CN(C)C
InChIInChI=1S/C13H27N3/c1-6-16(12(3)10-15(4)5)9-11(2)13-7-14-8-13/h12,14H,6-10H2,1-5H3
InChIKeyZECUSWVDHRBXBL-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189497) is 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC(C)=C1CNC1)C(C)CN(C)C.
What is the InChIKey of 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is ZECUSWVDHRBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-16(12(3)10-15(4)5)9-11(2)13-7-14-8-13/h12,14H,6-10H2,1-5H3.
What are the key properties of 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(azetidin-3-ylidene)propyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).