(Z)-N-ethylhept-3-ene-1,7-diamine

C9H20N2 — CID 134297179

IUPAC(Z)-N-ethylhept-3-ene-1,7-diamine
SMILESCCNCC/C=C\CCCN
InChIInChI=1S/C9H20N2/c1-2-11-9-7-5-3-4-6-8-10/h3,5,11H,2,4,6-10H2,1H3/b5-3-
InChIKeyBVVTYPORCPAIHK-HYXAFXHYSA-N
MW156.27 g/mol
LogP1.28
Rot. Bonds7

About (Z)-N-ethylhept-3-ene-1,7-diamine

(Z)-N-ethylhept-3-ene-1,7-diamine (PubChem CID 134297179) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (Z)-N-ethylhept-3-ene-1,7-diamine.

Molecular Properties

Compound Name(Z)-N-ethylhept-3-ene-1,7-diamine
PubChem CID134297179
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(Z)-N-ethylhept-3-ene-1,7-diamine
SMILESCCNCC/C=C\CCCN
InChIInChI=1S/C9H20N2/c1-2-11-9-7-5-3-4-6-8-10/h3,5,11H,2,4,6-10H2,1H3/b5-3-
InChIKeyBVVTYPORCPAIHK-HYXAFXHYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.28
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 (Z)-N-ethylhept-3-ene-1,7-diamine?
The IUPAC name of (Z)-N-ethylhept-3-ene-1,7-diamine (CID 134297179) is (Z)-N-ethylhept-3-ene-1,7-diamine.
What is the SMILES notation for (Z)-N-ethylhept-3-ene-1,7-diamine?
The canonical SMILES for (Z)-N-ethylhept-3-ene-1,7-diamine is CCNCC/C=C\CCCN.
What is the InChIKey of (Z)-N-ethylhept-3-ene-1,7-diamine?
The InChIKey is BVVTYPORCPAIHK-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-11-9-7-5-3-4-6-8-10/h3,5,11H,2,4,6-10H2,1H3/b5-3-.
What are the key properties of (Z)-N-ethylhept-3-ene-1,7-diamine?
(Z)-N-ethylhept-3-ene-1,7-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylhept-3-ene-1,7-diamine is sourced from PubChem (CID 134297179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).