3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine

C12H22N2 — CID 149363012

IUPAC3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)C1CN=C(C)C=C1C
InChIInChI=1S/C12H22N2/c1-9(5-6-13-4)12-8-14-11(3)7-10(12)2/h7,9,12-13H,5-6,8H2,1-4H3
InChIKeyYIGYHAIPBOTNGW-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.27
Rot. Bonds4

About 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine

3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine (PubChem CID 149363012) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine
PubChem CID149363012
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)C1CN=C(C)C=C1C
InChIInChI=1S/C12H22N2/c1-9(5-6-13-4)12-8-14-11(3)7-10(12)2/h7,9,12-13H,5-6,8H2,1-4H3
InChIKeyYIGYHAIPBOTNGW-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
CID 135135096
(E)-3-ethyl-N,4-dimethyl-6-(methylamino)hex-2-enimidoyl fluoride
CID 143782064
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
4-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]-2,3-dihydropyridin-2-amine
CID 89037011
3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
1-(6-ethyl-4,4-dimethyl-2,3,6,7-tetrahydrocyclohepta[b]pyridin-7-yl)-N-methylethanamine
CID 91470543
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine?
The IUPAC name of 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine (CID 149363012) is 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine is CNCCC(C)C1CN=C(C)C=C1C.
What is the InChIKey of 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine?
The InChIKey is YIGYHAIPBOTNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(5-6-13-4)12-8-14-11(3)7-10(12)2/h7,9,12-13H,5-6,8H2,1-4H3.
What are the key properties of 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine?
3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2,3-dihydropyridin-3-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 149363012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).