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

C6H12FN3 — CID 167008757

IUPAC4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCNC1=C(NF)CCNC1
InChIInChI=1S/C6H12FN3/c1-8-6-4-9-3-2-5(6)10-7/h8-10H,2-4H2,1H3
InChIKeySVLPPZGROQXZEP-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.12
Rot. Bonds2

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

4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine (PubChem CID 167008757) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine.

Molecular Properties

Compound Name4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
PubChem CID167008757
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
SMILESCNC1=C(NF)CCNC1
InChIInChI=1S/C6H12FN3/c1-8-6-4-9-3-2-5(6)10-7/h8-10H,2-4H2,1H3
InChIKeySVLPPZGROQXZEP-UHFFFAOYSA-N
XLogP-0.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
CID 139576018
(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 58269999
N,5-dimethyl-1,2,3,6-tetrahydropyridin-4-amine
CID 58270063
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
2-Methyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 130216291
4-N,1-dimethyl-3,6-dihydro-2H-pyridine-4,5-diamine
CID 130216522
1,2,3,6-Tetrahydropyridine-4,5-diamine
CID 134385325
4-N,2-dimethyl-1,2,3,6-tetrahydropyridine-4,5-diamine
CID 134547332

Frequently Asked Questions

What is the IUPAC name of 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The IUPAC name of 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine (CID 167008757) is 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine.
What is the SMILES notation for 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The canonical SMILES for 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine is CNC1=C(NF)CCNC1.
What is the InChIKey of 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
The InChIKey is SVLPPZGROQXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-8-6-4-9-3-2-5(6)10-7/h8-10H,2-4H2,1H3.
What are the key properties of 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine?
4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine has a molecular weight of 145.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-fluoro-5-N-methyl-1,2,3,6-tetrahydropyridine-4,5-diamine is sourced from PubChem (CID 167008757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).