(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine

C12H27N3 — CID 143115343

IUPAC(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine
SMILESC=C/C(C)=C\C=N\C.CCN.CCNC
InChIInChI=1S/C7H11N.C3H9N.C2H7N/c1-4-7(2)5-6-8-3;1-3-4-2;1-2-3/h4-6H,1H2,2-3H3;4H,3H2,1-2H3;2-3H2,1H3/b7-5-,8-6+;;
InChIKeyOPLULJQANDBLDL-RRBJLESWSA-N
MW213.37 g/mol
LogP2.01
Rot. Bonds3

About (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine

(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine (PubChem CID 143115343) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine.

Molecular Properties

Compound Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine
PubChem CID143115343
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine
SMILESC=C/C(C)=C\C=N\C.CCN.CCNC
InChIInChI=1S/C7H11N.C3H9N.C2H7N/c1-4-7(2)5-6-8-3;1-3-4-2;1-2-3/h4-6H,1H2,2-3H3;4H,3H2,1-2H3;2-3H2,1H3/b7-5-,8-6+;;
InChIKeyOPLULJQANDBLDL-RRBJLESWSA-N
XLogP2.01
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine with MolForge

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Related Compounds

Penta-1,3-diene, 1-ethylamino-5-ethylimino-
CID 74051061
[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
Methyl-[4,5,6,7,8-pentamethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59952362
[4,5-Dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 59962901
Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
N-methyl-2-[(1E,3Z,5Z)-5-methylhepta-1,3,5-trienyl]iminoethanamine
CID 88538338
(E)-2-ethenyl-4-methyliminobut-2-en-1-amine
CID 89185830

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine?
The IUPAC name of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine (CID 143115343) is (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine.
What is the SMILES notation for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine?
The canonical SMILES for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine is C=C/C(C)=C\C=N\C.CCN.CCNC.
What is the InChIKey of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine?
The InChIKey is OPLULJQANDBLDL-RRBJLESWSA-N. The full InChI is InChI=1S/C7H11N.C3H9N.C2H7N/c1-4-7(2)5-6-8-3;1-3-4-2;1-2-3/h4-6H,1H2,2-3H3;4H,3H2,1-2H3;2-3H2,1H3/b7-5-,8-6+;;.
What are the key properties of (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine?
(2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine has a molecular weight of 213.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethylpenta-2,4-dien-1-imine;ethanamine;N-methylethanamine is sourced from PubChem (CID 143115343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).