1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine

C20H37N3 — CID 142954218

IUPAC1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine
SMILESC=CC(C)=CC(C)/N=C/C.CC.CNCC1C(C)=CC=CN1C
InChIInChI=1S/C9H16N2.C9H15N.C2H6/c1-8-5-4-6-11(3)9(8)7-10-2;1-5-8(3)7-9(4)10-6-2;1-2/h4-6,9-10H,7H2,1-3H3;5-7,9H,1H2,2-4H3;1-2H3/b;8-7?,10-6+;
InChIKeyGOPOVUFOZCDOOL-BAUZEFRXSA-N
MW319.54 g/mol
LogP4.60
Rot. Bonds5

About 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine

1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine (PubChem CID 142954218) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine.

Molecular Properties

Compound Name1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine
PubChem CID142954218
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine
SMILESC=CC(C)=CC(C)/N=C/C.CC.CNCC1C(C)=CC=CN1C
InChIInChI=1S/C9H16N2.C9H15N.C2H6/c1-8-5-4-6-11(3)9(8)7-10-2;1-5-8(3)7-9(4)10-6-2;1-2/h4-6,9-10H,7H2,1-3H3;5-7,9H,1H2,2-4H3;1-2H3/b;8-7?,10-6+;
InChIKeyGOPOVUFOZCDOOL-BAUZEFRXSA-N
XLogP4.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z,7E,9Z)-5-[4-[(tert-butylamino)methyl]-2-methyl-2H-pyridin-1-yl]-7-ethenyl-10-methyl-4-(propan-2-ylideneamino)dodeca-1,3,5,7,9-pentaen-6-amine;ethane
CID 142198854
1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine
CID 142954219
(1Z,3Z)-N,N-dimethyl-3-(2-piperazin-1-ylethyl)penta-1,3-dien-1-amine;ethanamine;ethane;N-ethenylethanimine
CID 143703240
N,N-dimethyl-1-(3-methyl-1,2-dihydropyridin-2-yl)methanamine
CID 144145273
(3Z,5Z)-N-[1-(1,2-dihydropyridin-2-yl)prop-2-enyl]-5-(ethylideneamino)octa-3,5-dien-4-amine
CID 144290754
N-[(E)-1-(3-ethenyl-1-methyl-2H-pyridin-2-yl)-2-methylbut-1-enyl]prop-2-en-1-imine
CID 155439846
N-[(3E,6Z)-7-(ethylideneamino)-3,6-dimethyl-5-methylideneocta-1,3,6-trien-2-yl]-N',N'-dipropylethane-1,2-diamine
CID 156122064
7-methyl-7,7a-dihydro-6H-pyrrolo[2,3-c]pyridine
CID 156340453
3,7,8,8a-Tetrahydro-1,7-naphthyridine
CID 173072010
7-ethenylimino-N-methyl-4-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]hepta-1,3,5-trien-3-amine
CID 173739228
(3Z,6Z)-1-[[(2Z,4Z,6E)-4,6-dimethylocta-2,4,6-trienylidene]amino]-N-methyl-5-methylidenenona-3,6,8-trien-2-amine
CID 173985293
(1Z,3E,5Z)-N-ethyl-2-(ethylideneamino)-4-[(4-heptan-2-ylpiperazin-1-yl)methyl]hepta-1,3,5-trien-1-amine
CID 142149416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine?
The IUPAC name of 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine (CID 142954218) is 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine.
What is the SMILES notation for 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine?
The canonical SMILES for 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine is C=CC(C)=CC(C)/N=C/C.CC.CNCC1C(C)=CC=CN1C.
What is the InChIKey of 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine?
The InChIKey is GOPOVUFOZCDOOL-BAUZEFRXSA-N. The full InChI is InChI=1S/C9H16N2.C9H15N.C2H6/c1-8-5-4-6-11(3)9(8)7-10-2;1-5-8(3)7-9(4)10-6-2;1-2/h4-6,9-10H,7H2,1-3H3;5-7,9H,1H2,2-4H3;1-2H3/b;8-7?,10-6+;.
What are the key properties of 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine?
1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine has a molecular weight of 319.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2H-pyridin-2-yl)-N-methylmethanamine;ethane;N-(4-methylhexa-3,5-dien-2-yl)ethanimine is sourced from PubChem (CID 142954218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).