(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine

C10H18N2 — CID 142114351

IUPAC(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine
SMILESC=C/C=C\C/C(=C\CNC)CN
InChIInChI=1S/C10H18N2/c1-3-4-5-6-10(9-11)7-8-12-2/h3-5,7,12H,1,6,8-9,11H2,2H3/b5-4-,10-7+
InChIKeyWCVWWHPAAAYVCI-DOIONKORSA-N
MW166.27 g/mol
LogP1.22
Rot. Bonds6

About (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine

(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine (PubChem CID 142114351) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine
PubChem CID142114351
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine
SMILESC=C/C=C\C/C(=C\CNC)CN
InChIInChI=1S/C10H18N2/c1-3-4-5-6-10(9-11)7-8-12-2/h3-5,7,12H,1,6,8-9,11H2,2H3/b5-4-,10-7+
InChIKeyWCVWWHPAAAYVCI-DOIONKORSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(2E,4Z)-3-fluoro-N-methylnona-2,4-diene-1,9-diamine
CID 121336104
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 142112936
(2E,4Z,6E)-6-(fluoromethylidene)-N-methylocta-2,4-dien-1-amine
CID 142367099
4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
CID 143002647
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338
(4E)-4-fluoro-N-methyl-3-methylidenehepta-4,6-dien-1-amine
CID 143596418
(4Z,6E)-6-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 143615702
(5Z)-7-fluoro-N-methyl-3,4-dimethylideneocta-5,7-dien-1-amine
CID 145360735
N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)ethanamine
CID 155737109
(2Z)-2-(1-fluoroethyl)-N-propylpenta-2,4-dien-1-amine
CID 169885539
(4Z,6E)-6-(2-fluoropropan-2-yl)-N-methylocta-4,6-dien-1-amine
CID 170100735

Frequently Asked Questions

What is the IUPAC name of (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine?
The IUPAC name of (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine (CID 142114351) is (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine is C=C/C=C\C/C(=C\CNC)CN.
What is the InChIKey of (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine?
The InChIKey is WCVWWHPAAAYVCI-DOIONKORSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-6-10(9-11)7-8-12-2/h3-5,7,12H,1,6,8-9,11H2,2H3/b5-4-,10-7+.
What are the key properties of (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine?
(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 142114351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).