(E)-N,N'-diethylhept-3-ene-1,7-diamine

C11H24N2 — CID 21453009

IUPAC(E)-N,N'-diethylhept-3-ene-1,7-diamine
SMILESCCNCC/C=C/CCCNCC
InChIInChI=1S/C11H24N2/c1-3-12-10-8-6-5-7-9-11-13-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5+
InChIKeyVFOYCICCIACMCF-AATRIKPKSA-N
MW184.33 g/mol
LogP1.93
Rot. Bonds9

About (E)-N,N'-diethylhept-3-ene-1,7-diamine

(E)-N,N'-diethylhept-3-ene-1,7-diamine (PubChem CID 21453009) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (E)-N,N'-diethylhept-3-ene-1,7-diamine.

Molecular Properties

Compound Name(E)-N,N'-diethylhept-3-ene-1,7-diamine
PubChem CID21453009
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(E)-N,N'-diethylhept-3-ene-1,7-diamine
SMILESCCNCC/C=C/CCCNCC
InChIInChI=1S/C11H24N2/c1-3-12-10-8-6-5-7-9-11-13-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5+
InChIKeyVFOYCICCIACMCF-AATRIKPKSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
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 (E)-N,N'-diethylhept-3-ene-1,7-diamine?
The IUPAC name of (E)-N,N'-diethylhept-3-ene-1,7-diamine (CID 21453009) is (E)-N,N'-diethylhept-3-ene-1,7-diamine.
What is the SMILES notation for (E)-N,N'-diethylhept-3-ene-1,7-diamine?
The canonical SMILES for (E)-N,N'-diethylhept-3-ene-1,7-diamine is CCNCC/C=C/CCCNCC.
What is the InChIKey of (E)-N,N'-diethylhept-3-ene-1,7-diamine?
The InChIKey is VFOYCICCIACMCF-AATRIKPKSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-12-10-8-6-5-7-9-11-13-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/b6-5+.
What are the key properties of (E)-N,N'-diethylhept-3-ene-1,7-diamine?
(E)-N,N'-diethylhept-3-ene-1,7-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diethylhept-3-ene-1,7-diamine is sourced from PubChem (CID 21453009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).