N,N'-diethylhept-3-ene-1,7-diamine

C11H24N2 — CID 54389461

IUPACN,N'-diethylhept-3-ene-1,7-diamine
SMILESCCNCCC=CCCCNCC
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
InChIKeyVFOYCICCIACMCF-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.93
Rot. Bonds9

About N,N'-diethylhept-3-ene-1,7-diamine

N,N'-diethylhept-3-ene-1,7-diamine (PubChem CID 54389461) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,N'-diethylhept-3-ene-1,7-diamine.

Molecular Properties

Compound NameN,N'-diethylhept-3-ene-1,7-diamine
PubChem CID54389461
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,N'-diethylhept-3-ene-1,7-diamine
SMILESCCNCCC=CCCCNCC
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
InChIKeyVFOYCICCIACMCF-UHFFFAOYSA-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 N,N'-diethylhept-3-ene-1,7-diamine?
The IUPAC name of N,N'-diethylhept-3-ene-1,7-diamine (CID 54389461) is N,N'-diethylhept-3-ene-1,7-diamine.
What is the SMILES notation for N,N'-diethylhept-3-ene-1,7-diamine?
The canonical SMILES for N,N'-diethylhept-3-ene-1,7-diamine is CCNCCC=CCCCNCC.
What is the InChIKey of N,N'-diethylhept-3-ene-1,7-diamine?
The InChIKey is VFOYCICCIACMCF-UHFFFAOYSA-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.
What are the key properties of N,N'-diethylhept-3-ene-1,7-diamine?
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 N,N'-diethylhept-3-ene-1,7-diamine is sourced from PubChem (CID 54389461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).