1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine

C15H31N3 — CID 71092215

IUPAC1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine
SMILESCCCC(NC1C=C1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C15H31N3/c1-6-13-15(16-14-11-12-14,17(7-2)8-3)18(9-4)10-5/h11-12,14,16H,6-10,13H2,1-5H3
InChIKeyCDEDPDVCIAMQJX-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.65
Rot. Bonds10

About 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine

1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine (PubChem CID 71092215) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine.

Molecular Properties

Compound Name1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine
PubChem CID71092215
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine
SMILESCCCC(NC1C=C1)(N(CC)CC)N(CC)CC
InChIInChI=1S/C15H31N3/c1-6-13-15(16-14-11-12-14,17(7-2)8-3)18(9-4)10-5/h11-12,14,16H,6-10,13H2,1-5H3
InChIKeyCDEDPDVCIAMQJX-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine?
The IUPAC name of 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine (CID 71092215) is 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine.
What is the SMILES notation for 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine?
The canonical SMILES for 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine is CCCC(NC1C=C1)(N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine?
The InChIKey is CDEDPDVCIAMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-6-13-15(16-14-11-12-14,17(7-2)8-3)18(9-4)10-5/h11-12,14,16H,6-10,13H2,1-5H3.
What are the key properties of 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine?
1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine has a molecular weight of 253.43 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloprop-2-en-1-yl-1-N',1-N',1-N",1-N"-tetraethylbutane-1,1,1-triamine is sourced from PubChem (CID 71092215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).