N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine

C8H15N3 — CID 143099431

IUPACN'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine
SMILESC=C/C(=C\C=N\C)NCCN
InChIInChI=1S/C8H15N3/c1-3-8(4-6-10-2)11-7-5-9/h3-4,6,11H,1,5,7,9H2,2H3/b8-4+,10-6+
InChIKeyBNQLUJCZIGODAP-GZFKCFCKSA-N
MW153.23 g/mol
LogP0.31
Rot. Bonds5

About N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine

N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine (PubChem CID 143099431) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine
PubChem CID143099431
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine
SMILESC=C/C(=C\C=N\C)NCCN
InChIInChI=1S/C8H15N3/c1-3-8(4-6-10-2)11-7-5-9/h3-4,6,11H,1,5,7,9H2,2H3/b8-4+,10-6+
InChIKeyBNQLUJCZIGODAP-GZFKCFCKSA-N
XLogP0.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine?
The IUPAC name of N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine (CID 143099431) is N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine is C=C/C(=C\C=N\C)NCCN.
What is the InChIKey of N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine?
The InChIKey is BNQLUJCZIGODAP-GZFKCFCKSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-8(4-6-10-2)11-7-5-9/h3-4,6,11H,1,5,7,9H2,2H3/b8-4+,10-6+.
What are the key properties of N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine?
N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 143099431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).