(4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine

C8H14N2 — CID 123421069

IUPAC(4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine
SMILESCC1=CC(C)=NCC1CN
InChIInChI=1S/C8H14N2/c1-6-3-7(2)10-5-8(6)4-9/h3,8H,4-5,9H2,1-2H3
InChIKeyCDQNYUFJZUUTNB-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.98
Rot. Bonds1

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

(4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine (PubChem CID 123421069) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine.

Molecular Properties

Compound Name(4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine
PubChem CID123421069
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine
SMILESCC1=CC(C)=NCC1CN
InChIInChI=1S/C8H14N2/c1-6-3-7(2)10-5-8(6)4-9/h3,8H,4-5,9H2,1-2H3
InChIKeyCDQNYUFJZUUTNB-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6-Trimethyl-2,3-dihydropyridine
CID 123846974
3,6-Dimethyl-2,3-dihydropyridin-2-amine;ethane
CID 142119792
4,6-Dimethyl-2,3-dihydropyridin-2-amine
CID 143620844
Ethane;(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 144514602
(5-Methyl-2,3-dihydropyridin-6-yl)methanamine
CID 145066357
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanamine
CID 153259482
3-Ethyl-6-methyl-2,3-dihydropyridin-2-amine
CID 156232545
(5,6-Dimethyl-2,3-dihydropyridin-2-yl)azanium
CID 161719357
3-(1-Aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine
CID 163589911
(2S)-3,7-dimethyl-3,4-dihydro-2H-azepin-2-amine
CID 173944545
3,6-Dimethyl-2,3-dihydropyridin-2-amine
CID 142119793
5,6-Dimethyl-2,3-dihydropyridin-2-amine
CID 149220560

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine?
The IUPAC name of (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine (CID 123421069) is (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine.
What is the SMILES notation for (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine?
The canonical SMILES for (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine is CC1=CC(C)=NCC1CN.
What is the InChIKey of (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine?
The InChIKey is CDQNYUFJZUUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-3-7(2)10-5-8(6)4-9/h3,8H,4-5,9H2,1-2H3.
What are the key properties of (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine?
(4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2,3-dihydropyridin-3-yl)methanamine is sourced from PubChem (CID 123421069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).