2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine

C6H13N3 — CID 130216291

IUPAC2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCC1CC(N)=C(N)CN1
InChIInChI=1S/C6H13N3/c1-4-2-5(7)6(8)3-9-4/h4,9H,2-3,7-8H2,1H3
InChIKeyOLVLMIFKTPNGQZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.50
Rot. Bonds

About 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine

2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine (PubChem CID 130216291) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine.

Molecular Properties

Compound Name2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
PubChem CID130216291
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCC1CC(N)=C(N)CN1
InChIInChI=1S/C6H13N3/c1-4-2-5(7)6(8)3-9-4/h4,9H,2-3,7-8H2,1H3
InChIKeyOLVLMIFKTPNGQZ-UHFFFAOYSA-N
XLogP-0.50
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 167008757
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 58269999
4-Methyl-1,2,3,6-tetrahydropyridin-5-amine
CID 67861468
5-N,1-dimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 68391381
4-(Methylaminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 117805525
4-N,5-N,1-trimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 129018663
4-N,1-dimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 130216522
4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine
CID 130216754
1,2,3,6-Tetrahydropyridine-4,5-diamine
CID 134385325
4-N,2-dimethyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 134547332
N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine
CID 135294288
4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 142926421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The IUPAC name of 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine (CID 130216291) is 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine.
What is the SMILES notation for 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The canonical SMILES for 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine is CC1CC(N)=C(N)CN1.
What is the InChIKey of 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The InChIKey is OLVLMIFKTPNGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-2-5(7)6(8)3-9-4/h4,9H,2-3,7-8H2,1H3.
What are the key properties of 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine is sourced from PubChem (CID 130216291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).