ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine

C9H18N2 — CID 144803149

IUPACethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(N)=C\C(=C)NC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(8)5-6(2)9-3;1-2/h4-5,9H,1-2,8H2,3H3;1-2H3/b7-5+;
InChIKeySIZWGOXNZXZYDH-GZOLSCHFSA-N
MW154.26 g/mol
LogP1.77
Rot. Bonds3

About ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine

ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine (PubChem CID 144803149) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine.

Molecular Properties

Compound Nameethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
PubChem CID144803149
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
SMILESC=C/C(N)=C\C(=C)NC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(8)5-6(2)9-3;1-2/h4-5,9H,1-2,8H2,3H3;1-2H3/b7-5+;
InChIKeySIZWGOXNZXZYDH-GZOLSCHFSA-N
XLogP1.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233
(3E,5E)-octa-1,3,5,7-tetraene-3,6-diamine
CID 129109676
ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
CID 142861932
(3E,5E)-6-amino-N,3-dimethylocta-3,5,7-trienamide
CID 142271658
(3E)-4-dimethylsilyl-N-methylpenta-1,3-dien-2-amine
CID 148954547
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
(3E,5E)-5-nitrohepta-1,3,5-trien-3-amine
CID 142131622
(1E)-1-methylsulfanylbuta-1,3-dien-2-amine
CID 155152094
ethane;ethenylhydrazine
CID 170974612
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
(3E)-4-amino-1,1,1-trifluorohexa-3,5-dien-2-one
CID 176670545

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine?
The IUPAC name of ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine (CID 144803149) is ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine.
What is the SMILES notation for ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine?
The canonical SMILES for ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine is C=C/C(N)=C\C(=C)NC.CC.
What is the InChIKey of ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine?
The InChIKey is SIZWGOXNZXZYDH-GZOLSCHFSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7(8)5-6(2)9-3;1-2/h4-5,9H,1-2,8H2,3H3;1-2H3/b7-5+;.
What are the key properties of ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine?
ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine is sourced from PubChem (CID 144803149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).