1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine

C9H16N2 — CID 138500116

IUPAC1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine
SMILESCNCC1C(C)=NC=CC1C
InChIInChI=1S/C9H16N2/c1-7-4-5-11-8(2)9(7)6-10-3/h4-5,7,9-10H,6H2,1-3H3
InChIKeyIWRBRCLOZPCKAP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.45
Rot. Bonds2

About 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine

1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine (PubChem CID 138500116) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine
PubChem CID138500116
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine
SMILESCNCC1C(C)=NC=CC1C
InChIInChI=1S/C9H16N2/c1-7-4-5-11-8(2)9(7)6-10-3/h4-5,7,9-10H,6H2,1-3H3
InChIKeyIWRBRCLOZPCKAP-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine (CID 138500116) is 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine is CNCC1C(C)=NC=CC1C.
What is the InChIKey of 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
The InChIKey is IWRBRCLOZPCKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-5-11-8(2)9(7)6-10-3/h4-5,7,9-10H,6H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine?
1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-3,4-dihydropyridin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 138500116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).