1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine

C9H16N2 — CID 123873452

IUPAC1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine
SMILESCC1=NC(C(C)N)=CCC1C
InChIInChI=1S/C9H16N2/c1-6-4-5-9(7(2)10)11-8(6)3/h5-7H,4,10H2,1-3H3
InChIKeyMNVTXVOAAUSRKR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.72
Rot. Bonds1

About 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine

1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine (PubChem CID 123873452) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine
PubChem CID123873452
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine
SMILESCC1=NC(C(C)N)=CCC1C
InChIInChI=1S/C9H16N2/c1-6-4-5-9(7(2)10)11-8(6)3/h5-7H,4,10H2,1-3H3
InChIKeyMNVTXVOAAUSRKR-UHFFFAOYSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-propan-2-yl-3H-pyrrol-5-yl)methanamine
CID 89018149
8-(Butan-2-ylideneamino)-1,8a-dihydronaphthalen-1-amine
CID 89636924
1-(3-Methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 91119270
2,5-di(propan-2-yl)-3H-pyrrol-3-amine
CID 117613154
2-Methyl-6-(3-methylpentan-2-ylideneamino)octa-2,5-dien-4-amine
CID 123635606
3-Butan-2-yl-2,3-dihydroquinoxalin-6-amine
CID 134312139
(Z)-1-[[(Z)-3-ethylhex-4-en-2-ylidene]amino]-4-methylpent-1-en-2-amine
CID 134345725
ethane;5-methyl-2-propan-2-yl-2H-pyrrol-3-amine
CID 144518346
2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine
CID 144581906
1-(4-Methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine
CID 155132108
1-(3,7-dimethyl-3,6-dihydro-2H-azepin-2-yl)ethenamine
CID 166876811
4-Hexan-3-ylimino-5-methylhex-2-en-2-amine
CID 173805567

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine?
The IUPAC name of 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine (CID 123873452) is 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine?
The canonical SMILES for 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine is CC1=NC(C(C)N)=CCC1C.
What is the InChIKey of 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine?
The InChIKey is MNVTXVOAAUSRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-4-5-9(7(2)10)11-8(6)3/h5-7H,4,10H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine?
1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-3,4-dihydropyridin-6-yl)ethanamine is sourced from PubChem (CID 123873452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).