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

C5H11N3 — CID 134385325

IUPAC1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESNC1=C(N)CNCC1
InChIInChI=1S/C5H11N3/c6-4-1-2-8-3-5(4)7/h8H,1-3,6-7H2
InChIKeySGFCTQVWNZMJNX-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.89
Rot. Bonds

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

1,2,3,6-tetrahydropyridine-4,5-diamine (PubChem CID 134385325) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-4,5-diamine.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-4,5-diamine
PubChem CID134385325
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESNC1=C(N)CNCC1
InChIInChI=1S/C5H11N3/c6-4-1-2-8-3-5(4)7/h8H,1-3,6-7H2
InChIKeySGFCTQVWNZMJNX-UHFFFAOYSA-N
XLogP-0.89
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 167008757
1,2,3,6-Tetrahydropyridin-4-amine
CID 5247520
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 58269999
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine
CID 58270063
1,2,3,6-Tetrahydropyridin-5-amine
CID 66761726
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
5-(Methylamino)-1,2,3,6-tetrahydropyridine-4-thiol
CID 88570766
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
2-Methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 130216291

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-4,5-diamine?
The IUPAC name of 1,2,3,6-tetrahydropyridine-4,5-diamine (CID 134385325) is 1,2,3,6-tetrahydropyridine-4,5-diamine.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-4,5-diamine?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-4,5-diamine is NC1=C(N)CNCC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-4,5-diamine?
The InChIKey is SGFCTQVWNZMJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c6-4-1-2-8-3-5(4)7/h8H,1-3,6-7H2.
What are the key properties of 1,2,3,6-tetrahydropyridine-4,5-diamine?
1,2,3,6-tetrahydropyridine-4,5-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-4,5-diamine is sourced from PubChem (CID 134385325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).