(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine

C12H20N2 — CID 174245993

IUPAC(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine
SMILESC=CN(C)CC(=C\C)/C(=C\C)C(=C)N
InChIInChI=1S/C12H20N2/c1-6-11(9-14(5)8-3)12(7-2)10(4)13/h6-8H,3-4,9,13H2,1-2,5H3/b11-6+,12-7-
InChIKeyVCQUWBMZWFURDB-CZIBKUHYSA-N
MW192.31 g/mol
LogP2.43
Rot. Bonds5

About (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine

(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine (PubChem CID 174245993) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine
PubChem CID174245993
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine
SMILESC=CN(C)CC(=C\C)/C(=C\C)C(=C)N
InChIInChI=1S/C12H20N2/c1-6-11(9-14(5)8-3)12(7-2)10(4)13/h6-8H,3-4,9,13H2,1-2,5H3/b11-6+,12-7-
InChIKeyVCQUWBMZWFURDB-CZIBKUHYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-N-ethenyl-N,2,3-trimethylhexa-2,4-dien-1-amine
CID 134566444
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(E)-2-[1-[3-hydroxypropyl(methyl)amino]ethenyl]but-2-enamide
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1-N'-ethenyl-1-N'-methylethene-1,1-diamine
CID 174001466
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
pentane;prop-2-enamide
CID 139391622
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
N-ethenyl-N-methyl-2-propyliminoethanamine
CID 123304907
CID 172708986
CID 172708986
5-ethyl-3,4-dimethylidenehepta-1,5-diene
CID 91458758
4-[ethenyl(methyl)amino]-2-methylidenebutanoic acid
CID 174790892

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine?
The IUPAC name of (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine (CID 174245993) is (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine.
What is the SMILES notation for (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine?
The canonical SMILES for (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine is C=CN(C)CC(=C\C)/C(=C\C)C(=C)N.
What is the InChIKey of (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine?
The InChIKey is VCQUWBMZWFURDB-CZIBKUHYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-11(9-14(5)8-3)12(7-2)10(4)13/h6-8H,3-4,9,13H2,1-2,5H3/b11-6+,12-7-.
What are the key properties of (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine?
(2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-1-N-ethenyl-2,3-di(ethylidene)-1-N-methylpent-4-ene-1,4-diamine is sourced from PubChem (CID 174245993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).