1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine

C14H30N2 — CID 79087638

IUPAC1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine
SMILESC=CCCCC(CCN(CC)CC)NCC
InChIInChI=1S/C14H30N2/c1-5-9-10-11-14(15-6-2)12-13-16(7-3)8-4/h5,14-15H,1,6-13H2,2-4H3
InChIKeyZNCCNSIXEHGISW-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.05
Rot. Bonds11

About 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine

1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine (PubChem CID 79087638) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine
PubChem CID79087638
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine
SMILESC=CCCCC(CCN(CC)CC)NCC
InChIInChI=1S/C14H30N2/c1-5-9-10-11-14(15-6-2)12-13-16(7-3)8-4/h5,14-15H,1,6-13H2,2-4H3
InChIKeyZNCCNSIXEHGISW-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,1-N,3-N-triethyloct-7-ene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine (CID 79087638) is 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine is C=CCCCC(CCN(CC)CC)NCC.
What is the InChIKey of 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine?
The InChIKey is ZNCCNSIXEHGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-9-10-11-14(15-6-2)12-13-16(7-3)8-4/h5,14-15H,1,6-13H2,2-4H3.
What are the key properties of 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine?
1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N-triethyloct-7-ene-1,3-diamine is sourced from PubChem (CID 79087638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).