ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine

C16H30N2 — CID 167491206

IUPACethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C\C(=N/C)C1CCCCCCN1C.CC
InChIInChI=1S/C14H24N2.C2H6/c1-4-5-10-13(15-2)14-11-8-6-7-9-12-16(14)3;1-2/h4-5,10,14H,1,6-9,11-12H2,2-3H3;1-2H3/b10-5-,15-13+;
InChIKeyQBNWRJBZFYYJBQ-BKMCGRJVSA-N
MW250.43 g/mol
LogP4.09
Rot. Bonds3

About ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine

ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine (PubChem CID 167491206) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine
PubChem CID167491206
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Nameethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine
SMILESC=C/C=C\C(=N/C)C1CCCCCCN1C.CC
InChIInChI=1S/C14H24N2.C2H6/c1-4-5-10-13(15-2)14-11-8-6-7-9-12-16(14)3;1-2/h4-5,10,14H,1,6-9,11-12H2,2-3H3;1-2H3/b10-5-,15-13+;
InChIKeyQBNWRJBZFYYJBQ-BKMCGRJVSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
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;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine?
The IUPAC name of ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine (CID 167491206) is ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine?
The canonical SMILES for ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine is C=C/C=C\C(=N/C)C1CCCCCCN1C.CC.
What is the InChIKey of ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine?
The InChIKey is QBNWRJBZFYYJBQ-BKMCGRJVSA-N. The full InChI is InChI=1S/C14H24N2.C2H6/c1-4-5-10-13(15-2)14-11-8-6-7-9-12-16(14)3;1-2/h4-5,10,14H,1,6-9,11-12H2,2-3H3;1-2H3/b10-5-,15-13+;.
What are the key properties of ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine?
ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine has a molecular weight of 250.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-methyl-1-(1-methylazocan-2-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 167491206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).