(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine

C12H22N2 — CID 89363365

IUPAC(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine
SMILESC=C/N=C(C)/C(NC)=C(\C)CCCC
InChIInChI=1S/C12H22N2/c1-6-8-9-10(3)12(13-5)11(4)14-7-2/h7,13H,2,6,8-9H2,1,3-5H3/b12-10-,14-11+
InChIKeyQRSCFRTUOGIBAO-NNIWUBQSSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds6

About (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine

(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine (PubChem CID 89363365) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine.

Molecular Properties

Compound Name(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine
PubChem CID89363365
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine
SMILESC=C/N=C(C)/C(NC)=C(\C)CCCC
InChIInChI=1S/C12H22N2/c1-6-8-9-10(3)12(13-5)11(4)14-7-2/h7,13H,2,6,8-9H2,1,3-5H3/b12-10-,14-11+
InChIKeyQRSCFRTUOGIBAO-NNIWUBQSSA-N
XLogP3.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
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 (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine?
The IUPAC name of (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine (CID 89363365) is (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine.
What is the SMILES notation for (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine?
The canonical SMILES for (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine is C=C/N=C(C)/C(NC)=C(\C)CCCC.
What is the InChIKey of (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine?
The InChIKey is QRSCFRTUOGIBAO-NNIWUBQSSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-8-9-10(3)12(13-5)11(4)14-7-2/h7,13H,2,6,8-9H2,1,3-5H3/b12-10-,14-11+.
What are the key properties of (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine?
(Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine has a molecular weight of 194.32 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenylimino-N,4-dimethyloct-3-en-3-amine is sourced from PubChem (CID 89363365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).