N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine

C13H24N2 — CID 146428364

IUPACN-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine
SMILESC=CC(/C=N\N(C)C(CC)CCC)=C\C
InChIInChI=1S/C13H24N2/c1-6-10-13(9-4)15(5)14-11-12(7-2)8-3/h7-8,11,13H,2,6,9-10H2,1,3-5H3/b12-8+,14-11-
InChIKeyWHGVSIQGJHFCJL-LRPWABIJSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds7

About N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine

N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine (PubChem CID 146428364) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine.

Molecular Properties

Compound NameN-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine
PubChem CID146428364
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine
SMILESC=CC(/C=N\N(C)C(CC)CCC)=C\C
InChIInChI=1S/C13H24N2/c1-6-10-13(9-4)15(5)14-11-12(7-2)8-3/h7-8,11,13H,2,6,9-10H2,1,3-5H3/b12-8+,14-11-
InChIKeyWHGVSIQGJHFCJL-LRPWABIJSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine?
The IUPAC name of N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine (CID 146428364) is N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine.
What is the SMILES notation for N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine?
The canonical SMILES for N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine is C=CC(/C=N\N(C)C(CC)CCC)=C\C.
What is the InChIKey of N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine?
The InChIKey is WHGVSIQGJHFCJL-LRPWABIJSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-10-13(9-4)15(5)14-11-12(7-2)8-3/h7-8,11,13H,2,6,9-10H2,1,3-5H3/b12-8+,14-11-.
What are the key properties of N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine?
N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-2-ethenylbut-2-enylidene]amino]-N-methylhexan-3-amine is sourced from PubChem (CID 146428364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).