(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine

C10H17N3 — CID 170238138

IUPAC(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
SMILESC=CNNC(=C)/C=C(\C)C(=C)NC
InChIInChI=1S/C10H17N3/c1-6-12-13-9(3)7-8(2)10(4)11-5/h6-7,11-13H,1,3-4H2,2,5H3/b8-7+
InChIKeyNGJKLOPONRMKEA-BQYQJAHWSA-N
MW179.27 g/mol
LogP1.42
Rot. Bonds6

About (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine

(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 170238138) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
PubChem CID170238138
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
SMILESC=CNNC(=C)/C=C(\C)C(=C)NC
InChIInChI=1S/C10H17N3/c1-6-12-13-9(3)7-8(2)10(4)11-5/h6-7,11-13H,1,3-4H2,2,5H3/b8-7+
InChIKeyNGJKLOPONRMKEA-BQYQJAHWSA-N
XLogP1.42
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233
ethane;2-methylpropane;(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363500
(3Z)-N,3-dimethyl-5-methylimino-6-(2-methylphenyl)hexa-1,3-dien-2-amine
CID 146577623
1-N-ethenyl-2-N-methylprop-2-ene-1,2-diamine
CID 170084876
(3E)-4-chloro-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 142239286
(3E)-4-dimethylsilyl-N-methylpenta-1,3-dien-2-amine
CID 148954547
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine
CID 171644644
ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
CID 144803149

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine (CID 170238138) is (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine is C=CNNC(=C)/C=C(\C)C(=C)NC.
What is the InChIKey of (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is NGJKLOPONRMKEA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17N3/c1-6-12-13-9(3)7-8(2)10(4)11-5/h6-7,11-13H,1,3-4H2,2,5H3/b8-7+.
What are the key properties of (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
(3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(2-ethenylhydrazinyl)-N,3-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 170238138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).