3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine

C7H14N2 — CID 123417792

IUPAC3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine
SMILESCC1=NCC(C)C(N)C1
InChIInChI=1S/C7H14N2/c1-5-4-9-6(2)3-7(5)8/h5,7H,3-4,8H2,1-2H3
InChIKeyQHQFCGAOJSOWJI-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.81
Rot. Bonds

About 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine

3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine (PubChem CID 123417792) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine
PubChem CID123417792
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine
SMILESCC1=NCC(C)C(N)C1
InChIInChI=1S/C7H14N2/c1-5-4-9-6(2)3-7(5)8/h5,7H,3-4,8H2,1-2H3
InChIKeyQHQFCGAOJSOWJI-UHFFFAOYSA-N
XLogP0.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)methanamine
CID 70254702
[(5S)-4,6-dimethyl-2,3,4,5-tetrahydropyridin-5-yl]methanamine
CID 89721759
2-(3-Imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
CID 91220991
1-(2-Methylhexylideneamino)pentan-3-amine
CID 91261034
2,3,6-trimethyl-3,4-dihydro-2H-pyridin-5-imine
CID 91445899
2-Imino-3-propylcyclopropan-1-amine
CID 91564730
5-Methyl-3-methyliminohexan-1-amine
CID 123161747
3-(aminomethyl)-2-methyl-4,5-dihydro-3H-pyridin-2-amine
CID 123177422
5-Imino-3-methylhexan-2-amine
CID 123192152
5,6-dimethyl-3,5-dihydro-2H-pyridin-4-imine
CID 123202372
4-Methyl-3-methyliminopentan-2-amine
CID 123248313
4-Ethylimino-2,5-dimethylhexan-3-amine
CID 123346780

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine?
The IUPAC name of 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine (CID 123417792) is 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine.
What is the SMILES notation for 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine?
The canonical SMILES for 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine is CC1=NCC(C)C(N)C1.
What is the InChIKey of 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine?
The InChIKey is QHQFCGAOJSOWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-4-9-6(2)3-7(5)8/h5,7H,3-4,8H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine?
3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine has a molecular weight of 126.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3,4,5-tetrahydropyridin-4-amine is sourced from PubChem (CID 123417792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).