ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

C9H16N2 — CID 143106494

IUPACethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
SMILESCC.[H]/N=C/C(C=C)=C(\N)C=C
InChIInChI=1S/C7H10N2.C2H6/c1-3-6(5-8)7(9)4-2;1-2/h3-5,8H,1-2,9H2;1-2H3/b7-6-,8-5+;
InChIKeyMTORMFIEKBYOIN-LAPANCLDSA-N
MW152.24 g/mol
LogP2.25
Rot. Bonds3

About ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (PubChem CID 143106494) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Nameethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
PubChem CID143106494
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
SMILESCC.[H]/N=C/C(C=C)=C(\N)C=C
InChIInChI=1S/C7H10N2.C2H6/c1-3-6(5-8)7(9)4-2;1-2/h3-5,8H,1-2,9H2;1-2H3/b7-6-,8-5+;
InChIKeyMTORMFIEKBYOIN-LAPANCLDSA-N
XLogP2.25
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The IUPAC name of ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (CID 143106494) is ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The canonical SMILES for ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is CC.[H]/N=C/C(C=C)=C(\N)C=C.
What is the InChIKey of ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The InChIKey is MTORMFIEKBYOIN-LAPANCLDSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c1-3-6(5-8)7(9)4-2;1-2/h3-5,8H,1-2,9H2;1-2H3/b7-6-,8-5+;.
What are the key properties of ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143106494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).