3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine

C19H37N3 — CID 143345133

IUPAC3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine
SMILESC=CCC(C)CCCC/C=C(C)/C=N/CC(=C)NCC.CN
InChIInChI=1S/C18H32N2.CH5N/c1-6-11-16(3)12-9-8-10-13-17(4)14-19-15-18(5)20-7-2;1-2/h6,13-14,16,20H,1,5,7-12,15H2,2-4H3;2H2,1H3/b17-13+,19-14+;
InChIKeyNYGAEOXXYGEXDV-BNIRRVGSSA-N
MW307.53 g/mol
LogP4.47
Rot. Bonds12

About 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine

3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine (PubChem CID 143345133) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine.

Molecular Properties

Compound Name3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine
PubChem CID143345133
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine
SMILESC=CCC(C)CCCC/C=C(C)/C=N/CC(=C)NCC.CN
InChIInChI=1S/C18H32N2.CH5N/c1-6-11-16(3)12-9-8-10-13-17(4)14-19-15-18(5)20-7-2;1-2/h6,13-14,16,20H,1,5,7-12,15H2,2-4H3;2H2,1H3/b17-13+,19-14+;
InChIKeyNYGAEOXXYGEXDV-BNIRRVGSSA-N
XLogP4.47
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(2Z,4E)-hepta-2,4-dien-4-yl]amino]ethyl]-N-[4-[4-[(2E)-2-(propyliminomethyl)penta-2,4-dienylidene]cyclohexyl]butyl]thiohydroxylamine
CID 126659973
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine;ethane
CID 142402425
3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane
CID 143343425
(2R)-1-N-[(2E)-1-imino-5,9,10-trimethylundeca-2,10-dien-2-yl]propane-1,2-diamine
CID 156168494
(E)-3,6-dimethyl-4-methylimino-N-pent-4-en-2-yl-8-propylundec-2-en-2-amine
CID 156479602
(2Z,4E)-N-ethyl-2-(ethylideneamino)-5,6,6,8,8,9-hexamethyldeca-2,4-dien-1-amine
CID 156732364
(1Z,3E)-N'-[3-[(E,5R,6S,7E)-7-[1-(ethenylamino)ethylidene]-2,3,5,6-tetramethyldec-1-enyl]iminoprop-1-en-2-yl]-N-methylhexa-1,3-diene-1,6-diamine
CID 173871042
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine
CID 142402426
3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine
CID 143343426
3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine
CID 143345134

Frequently Asked Questions

What is the IUPAC name of 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine?
The IUPAC name of 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine (CID 143345133) is 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine.
What is the SMILES notation for 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine?
The canonical SMILES for 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine is C=CCC(C)CCCC/C=C(C)/C=N/CC(=C)NCC.CN.
What is the InChIKey of 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine?
The InChIKey is NYGAEOXXYGEXDV-BNIRRVGSSA-N. The full InChI is InChI=1S/C18H32N2.CH5N/c1-6-11-16(3)12-9-8-10-13-17(4)14-19-15-18(5)20-7-2;1-2/h6,13-14,16,20H,1,5,7-12,15H2,2-4H3;2H2,1H3/b17-13+,19-14+;.
What are the key properties of 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine?
3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine has a molecular weight of 307.53 g/mol, XLogP of 4.47, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine is sourced from PubChem (CID 143345133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).