1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine

C12H20N2 — CID 142249081

IUPAC1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(/N=C\C=C/C/C=C\C)NC
InChIInChI=1S/C12H20N2/c1-5-6-7-8-9-10-14-12(13-4)11(2)3/h5-6,8-10,12-13H,2,7H2,1,3-4H3/b6-5-,9-8-,14-10-
InChIKeyGSCFQSPXGMHVTG-FDLHNHOKSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds6

About 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine

1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine (PubChem CID 142249081) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine
PubChem CID142249081
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(/N=C\C=C/C/C=C\C)NC
InChIInChI=1S/C12H20N2/c1-5-6-7-8-9-10-14-12(13-4)11(2)3/h5-6,8-10,12-13H,2,7H2,1,3-4H3/b6-5-,9-8-,14-10-
InChIKeyGSCFQSPXGMHVTG-FDLHNHOKSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
1-(2,3-dihydropyridin-4-yl)-N-methylmethanamine
CID 123777305
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
N-methyl-2,3-dihydropyridin-2-amine
CID 138478210
ethane;2-ethyl-N-methyl-1-[(Z)-prop-2-enylideneamino]but-1-en-1-amine
CID 141904448
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
CID 143003407
(Z,2E)-2-[(methylideneamino)methylidene]-N-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]pent-3-en-1-amine
CID 143011685
1-(2H-azepin-5-yl)-N-methylmethanamine
CID 143096854
(E)-N,3-dimethyl-5-methyliminopent-3-en-1-amine
CID 143115309

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine (CID 142249081) is 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine is C=C(C)C(/N=C\C=C/C/C=C\C)NC.
What is the InChIKey of 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine?
The InChIKey is GSCFQSPXGMHVTG-FDLHNHOKSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-6-7-8-9-10-14-12(13-4)11(2)3/h5-6,8-10,12-13H,2,7H2,1,3-4H3/b6-5-,9-8-,14-10-.
What are the key properties of 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine?
1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(2Z,5Z)-hepta-2,5-dienylidene]amino]-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 142249081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).