N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine

C9H16N2 — CID 126591320

IUPACN,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine
SMILESCC1=CC(CN(C)C)=CCN1
InChIInChI=1S/C9H16N2/c1-8-6-9(4-5-10-8)7-11(2)3/h4,6,10H,5,7H2,1-3H3
InChIKeyQRBDYBONTOPHAU-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.98
Rot. Bonds2

About N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine

N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine (PubChem CID 126591320) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine
PubChem CID126591320
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine
SMILESCC1=CC(CN(C)C)=CCN1
InChIInChI=1S/C9H16N2/c1-8-6-9(4-5-10-8)7-11(2)3/h4,6,10H,5,7H2,1-3H3
InChIKeyQRBDYBONTOPHAU-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine (CID 126591320) is N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine is CC1=CC(CN(C)C)=CCN1.
What is the InChIKey of N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine?
The InChIKey is QRBDYBONTOPHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-6-9(4-5-10-8)7-11(2)3/h4,6,10H,5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine?
N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine has a molecular weight of 152.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine is sourced from PubChem (CID 126591320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).