ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane

C13H26N2 — CID 153377233

IUPACethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane
SMILESC=C/N=C(C=C)/C(C)=C\N.CC.CCC
InChIInChI=1S/C8H12N2.C3H8.C2H6/c1-4-8(10-5-2)7(3)6-9;1-3-2;1-2/h4-6H,1-2,9H2,3H3;3H2,1-2H3;1-2H3/b7-6-,10-8+;;
InChIKeySNXDMAPSTVYSJU-CTZBBKKDSA-N
MW210.36 g/mol
LogP4.06
Rot. Bonds3

About ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane

ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane (PubChem CID 153377233) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane.

Molecular Properties

Compound Nameethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane
PubChem CID153377233
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane
SMILESC=C/N=C(C=C)/C(C)=C\N.CC.CCC
InChIInChI=1S/C8H12N2.C3H8.C2H6/c1-4-8(10-5-2)7(3)6-9;1-3-2;1-2/h4-6H,1-2,9H2,3H3;3H2,1-2H3;1-2H3/b7-6-,10-8+;;
InChIKeySNXDMAPSTVYSJU-CTZBBKKDSA-N
XLogP4.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane?
The IUPAC name of ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane (CID 153377233) is ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane.
What is the SMILES notation for ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane?
The canonical SMILES for ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane is C=C/N=C(C=C)/C(C)=C\N.CC.CCC.
What is the InChIKey of ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane?
The InChIKey is SNXDMAPSTVYSJU-CTZBBKKDSA-N. The full InChI is InChI=1S/C8H12N2.C3H8.C2H6/c1-4-8(10-5-2)7(3)6-9;1-3-2;1-2/h4-6H,1-2,9H2,3H3;3H2,1-2H3;1-2H3/b7-6-,10-8+;;.
What are the key properties of ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane?
ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane has a molecular weight of 210.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane is sourced from PubChem (CID 153377233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).