(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine

C12H18N2 — CID 171543529

IUPAC(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/C)N(C=C(C)C)N=C
InChIInChI=1S/C12H18N2/c1-6-8-9-12(7-2)14(13-5)10-11(3)4/h6-10H,2,5H2,1,3-4H3/b8-6-,12-9+
InChIKeyOIPXTYZPIMCCIT-ZHAQITPWSA-N
MW190.29 g/mol
LogP3.47
Rot. Bonds5

About (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine

(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine (PubChem CID 171543529) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine
PubChem CID171543529
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/C)N(C=C(C)C)N=C
InChIInChI=1S/C12H18N2/c1-6-8-9-12(7-2)14(13-5)10-11(3)4/h6-10H,2,5H2,1,3-4H3/b8-6-,12-9+
InChIKeyOIPXTYZPIMCCIT-ZHAQITPWSA-N
XLogP3.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.47
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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Related Compounds

1-ethylcyclohepta-1,3,5-triene;N-ethylcyclopentanamine;(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine
CID 171543528
(3E,5Z)-N-methyl-N-(methylsulfanylmethyl)hepta-1,3,5-trien-3-amine
CID 144526916
(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide
CID 167044828
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenylhydroxylamine
CID 144754193
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
CID 126494567
(3E,5Z)-3-iodohepta-1,3,5-triene
CID 89257521
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
N-[(1E,3Z)-1-iodopenta-1,3-dienyl]methanimine
CID 163860981

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine (CID 171543529) is (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine is C=C/C(=C\C=C/C)N(C=C(C)C)N=C.
What is the InChIKey of (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine?
The InChIKey is OIPXTYZPIMCCIT-ZHAQITPWSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-8-9-12(7-2)14(13-5)10-11(3)4/h6-10H,2,5H2,1,3-4H3/b8-6-,12-9+.
What are the key properties of (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine?
(3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine has a molecular weight of 190.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-(methylideneamino)-N-(2-methylprop-1-enyl)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 171543529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).