3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane

C21H40N2 — CID 143343425

IUPAC3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane
SMILESC.C=CCC(C)CCC(C)(C)/C=C(CC)/C(C)=N/CC(=C)NC
InChIInChI=1S/C20H36N2.CH4/c1-9-11-16(3)12-13-20(6,7)14-19(10-2)18(5)22-15-17(4)21-8;/h9,14,16,21H,1,4,10-13,15H2,2-3,5-8H3;1H4/b19-14+,22-18+;
InChIKeyOIROIEOWGIMHAZ-AURDOVINSA-N
MW320.57 g/mol
LogP6.17
Rot. Bonds11

About 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane

3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane (PubChem CID 143343425) has the molecular formula C21H40N2 and a molecular weight of 320.57 g/mol. Its IUPAC name is 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane.

Molecular Properties

Compound Name3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane
PubChem CID143343425
Molecular FormulaC21H40N2
Molecular Weight320.57 g/mol
Exact Mass320.32
IUPAC Name3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane
SMILESC.C=CCC(C)CCC(C)(C)/C=C(CC)/C(C)=N/CC(=C)NC
InChIInChI=1S/C20H36N2.CH4/c1-9-11-16(3)12-13-20(6,7)14-19(10-2)18(5)22-15-17(4)21-8;/h9,14,16,21H,1,4,10-13,15H2,2-3,5-8H3;1H4/b19-14+,22-18+;
InChIKeyOIROIEOWGIMHAZ-AURDOVINSA-N
XLogP6.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 56.17
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

(3Z,4Z)-3-[1-(6-imino-2,4,4-trimethylcyclohexen-1-yl)ethylidene]-N-propylhepta-1,4,6-trien-2-amine
CID 134479440
N'-[(2E,4E)-4-[(2-ethylcyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-yl]-N-(5,5,8,8,9-pentamethyldeca-1,9-dien-2-yl)hexane-1,6-diamine
CID 139543865
3-[[(2E)-2,8-dimethylundeca-2,10-dienylidene]amino]-N-ethylprop-1-en-2-amine;methanamine
CID 143345133
ethane;3-[[(3E)-8-methyl-9-methylideneundeca-3,10-dien-2-ylidene]amino]prop-1-en-2-amine
CID 143346157
N-but-3-en-2-yl-4-(2,6-ditert-butyl-3,4-dihydropyridin-4-yl)cyclohexa-2,4-dien-1-amine
CID 147441429
(1Z)-1-[3-ethenylimino-5,5-dimethyl-6-[(2Z,4E,6E,8S)-8-methyltetradeca-2,4,6-trien-4-yl]-4H-pyridin-2-ylidene]-N-methylethanamine
CID 155106119
(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
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
N-[2-[[(2Z)-4,4-dimethyl-2-(3-methylpentan-2-ylidene)cyclohexylidene]amino]prop-2-enyl]-2-methylpropan-2-amine
CID 144383584

Frequently Asked Questions

What is the IUPAC name of 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane?
The IUPAC name of 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane (CID 143343425) is 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane.
What is the SMILES notation for 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane?
The canonical SMILES for 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane is C.C=CCC(C)CCC(C)(C)/C=C(CC)/C(C)=N/CC(=C)NC.
What is the InChIKey of 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane?
The InChIKey is OIROIEOWGIMHAZ-AURDOVINSA-N. The full InChI is InChI=1S/C20H36N2.CH4/c1-9-11-16(3)12-13-20(6,7)14-19(10-2)18(5)22-15-17(4)21-8;/h9,14,16,21H,1,4,10-13,15H2,2-3,5-8H3;1H4/b19-14+,22-18+;.
What are the key properties of 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane?
3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane has a molecular weight of 320.57 g/mol, XLogP of 6.17, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E)-3-ethyl-5,5,8-trimethylundeca-3,10-dien-2-ylidene]amino]-N-methylprop-1-en-2-amine;methane is sourced from PubChem (CID 143343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).