N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine

C9H16N2 — CID 126687484

IUPACN'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine
SMILESC=C/C=C\C=C(/C)NCCN
InChIInChI=1S/C9H16N2/c1-3-4-5-6-9(2)11-8-7-10/h3-6,11H,1,7-8,10H2,2H3/b5-4-,9-6+
InChIKeyACHVKHPWJNRZLO-KMOPYBJPSA-N
MW152.24 g/mol
LogP1.18
Rot. Bonds5

About N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine

N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine (PubChem CID 126687484) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine
PubChem CID126687484
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine
SMILESC=C/C=C\C=C(/C)NCCN
InChIInChI=1S/C9H16N2/c1-3-4-5-6-9(2)11-8-7-10/h3-6,11H,1,7-8,10H2,2H3/b5-4-,9-6+
InChIKeyACHVKHPWJNRZLO-KMOPYBJPSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine (CID 126687484) is N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine is C=C/C=C\C=C(/C)NCCN.
What is the InChIKey of N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine?
The InChIKey is ACHVKHPWJNRZLO-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-6-9(2)11-8-7-10/h3-6,11H,1,7-8,10H2,2H3/b5-4-,9-6+.
What are the key properties of N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine?
N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 126687484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).