ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine

C12H26N2 — CID 144628619

IUPACethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine
SMILESC/C=C(\C=N/C(C)N(C)C)CC.CC
InChIInChI=1S/C10H20N2.C2H6/c1-6-10(7-2)8-11-9(3)12(4)5;1-2/h6,8-9H,7H2,1-5H3;1-2H3/b10-6-,11-8-;
InChIKeyNYGPASUOMIBWFS-TXBDWLMNSA-N
MW198.35 g/mol
LogP3.35
Rot. Bonds4

About ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine

ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine (PubChem CID 144628619) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine.

Molecular Properties

Compound Nameethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine
PubChem CID144628619
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine
SMILESC/C=C(\C=N/C(C)N(C)C)CC.CC
InChIInChI=1S/C10H20N2.C2H6/c1-6-10(7-2)8-11-9(3)12(4)5;1-2/h6,8-9H,7H2,1-5H3;1-2H3/b10-6-,11-8-;
InChIKeyNYGPASUOMIBWFS-TXBDWLMNSA-N
XLogP3.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
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;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine?
The IUPAC name of ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine (CID 144628619) is ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine.
What is the SMILES notation for ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine?
The canonical SMILES for ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine is C/C=C(\C=N/C(C)N(C)C)CC.CC.
What is the InChIKey of ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine?
The InChIKey is NYGPASUOMIBWFS-TXBDWLMNSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-6-10(7-2)8-11-9(3)12(4)5;1-2/h6,8-9H,7H2,1-5H3;1-2H3/b10-6-,11-8-;.
What are the key properties of ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine?
ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine has a molecular weight of 198.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(Z)-[(Z)-2-ethylbut-2-enylidene]amino]-N,N-dimethylethanamine is sourced from PubChem (CID 144628619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).