(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine

C13H24N2 — CID 143449323

IUPAC(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N=C/C)N(CCC)CCC
InChIInChI=1S/C13H24N2/c1-6-10-15(11-7-2)13(14-9-4)12(5)8-3/h8-9H,3,6-7,10-11H2,1-2,4-5H3/b13-12+,14-9-
InChIKeyVLDWUQPSDDRYPH-PLNHRFPVSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds7

About (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine

(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine (PubChem CID 143449323) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
PubChem CID143449323
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N=C/C)N(CCC)CCC
InChIInChI=1S/C13H24N2/c1-6-10-15(11-7-2)13(14-9-4)12(5)8-3/h8-9H,3,6-7,10-11H2,1-2,4-5H3/b13-12+,14-9-
InChIKeyVLDWUQPSDDRYPH-PLNHRFPVSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine (CID 143449323) is (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine is C=C/C(C)=C(\N=C/C)N(CCC)CCC.
What is the InChIKey of (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
The InChIKey is VLDWUQPSDDRYPH-PLNHRFPVSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-10-15(11-7-2)13(14-9-4)12(5)8-3/h8-9H,3,6-7,10-11H2,1-2,4-5H3/b13-12+,14-9-.
What are the key properties of (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-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 (1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143449323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).