ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine

C9H18N2 — CID 156817521

IUPACethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)NN=C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-6-7(5-2)9-8-3;1-2/h4,6,9H,1,3,5H2,2H3;1-2H3/b7-6+;
InChIKeyLWJQSBAIZQBZQH-UHDJGPCESA-N
MW154.26 g/mol
LogP2.70
Rot. Bonds4

About ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine

ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine (PubChem CID 156817521) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine.

Molecular Properties

Compound Nameethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine
PubChem CID156817521
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine
SMILESC=C/C=C(\CC)NN=C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-6-7(5-2)9-8-3;1-2/h4,6,9H,1,3,5H2,2H3;1-2H3/b7-6+;
InChIKeyLWJQSBAIZQBZQH-UHDJGPCESA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-fluoro-N-(methylideneamino)hexa-3,5-dien-3-amine
CID 176936779
(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
(Z)-N-(methylideneamino)pent-2-en-3-amine
CID 90046073
(2E)-N-(methylideneamino)penta-2,4-dien-2-amine
CID 90401095
(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
CID 118550351
(2E,4Z)-N-[(Z)-ethylideneamino]-4,5-dimethylhepta-2,4,6-trien-2-amine
CID 124099628
(2E,4Z)-N-[(Z)-ethylideneamino]-4-methylhepta-2,4,6-trien-2-amine
CID 124099691
(E)-N-(methylideneamino)hex-3-en-3-amine
CID 126654045
(Z)-N-(methylideneamino)hept-2-en-2-amine
CID 134535297
(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
CID 138656040
ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine
CID 142941338
(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
CID 143256208

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?
The IUPAC name of ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine (CID 156817521) is ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine.
What is the SMILES notation for ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?
The canonical SMILES for ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine is C=C/C=C(\CC)NN=C.CC.
What is the InChIKey of ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?
The InChIKey is LWJQSBAIZQBZQH-UHDJGPCESA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-6-7(5-2)9-8-3;1-2/h4,6,9H,1,3,5H2,2H3;1-2H3/b7-6+;.
What are the key properties of ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine?
ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine has a molecular weight of 154.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine is sourced from PubChem (CID 156817521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).