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

C6H13N3 — CID 142926421

IUPAC4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCNC1=C(N)CNCC1
InChIInChI=1S/C6H13N3/c1-8-6-2-3-9-4-5(6)7/h8-9H,2-4,7H2,1H3
InChIKeyYSKLCXUHWLRFFX-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.63
Rot. Bonds1

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

4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine (PubChem CID 142926421) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
PubChem CID142926421
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCNC1=C(N)CNCC1
InChIInChI=1S/C6H13N3/c1-8-6-2-3-9-4-5(6)7/h8-9H,2-4,7H2,1H3
InChIKeyYSKLCXUHWLRFFX-UHFFFAOYSA-N
XLogP-0.63
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The IUPAC name of 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine (CID 142926421) is 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine.
What is the SMILES notation for 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The canonical SMILES for 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine is CNC1=C(N)CNCC1.
What is the InChIKey of 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The InChIKey is YSKLCXUHWLRFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-8-6-2-3-9-4-5(6)7/h8-9H,2-4,7H2,1H3.
What are the key properties of 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine is sourced from PubChem (CID 142926421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).