N-fluoro-N-methyl-2-methylidenepiperazin-1-amine

C6H12FN3 — CID 134250408

IUPACN-fluoro-N-methyl-2-methylidenepiperazin-1-amine
SMILESC=C1CNCCN1N(C)F
InChIInChI=1S/C6H12FN3/c1-6-5-8-3-4-10(6)9(2)7/h8H,1,3-5H2,2H3
InChIKeyQRMMOHOUSLQVNA-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.14
Rot. Bonds1

About N-fluoro-N-methyl-2-methylidenepiperazin-1-amine

N-fluoro-N-methyl-2-methylidenepiperazin-1-amine (PubChem CID 134250408) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is N-fluoro-N-methyl-2-methylidenepiperazin-1-amine.

Molecular Properties

Compound NameN-fluoro-N-methyl-2-methylidenepiperazin-1-amine
PubChem CID134250408
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC NameN-fluoro-N-methyl-2-methylidenepiperazin-1-amine
SMILESC=C1CNCCN1N(C)F
InChIInChI=1S/C6H12FN3/c1-6-5-8-3-4-10(6)9(2)7/h8H,1,3-5H2,2H3
InChIKeyQRMMOHOUSLQVNA-UHFFFAOYSA-N
XLogP0.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-methyl-2-methylidenepiperazin-1-amine?
The IUPAC name of N-fluoro-N-methyl-2-methylidenepiperazin-1-amine (CID 134250408) is N-fluoro-N-methyl-2-methylidenepiperazin-1-amine.
What is the SMILES notation for N-fluoro-N-methyl-2-methylidenepiperazin-1-amine?
The canonical SMILES for N-fluoro-N-methyl-2-methylidenepiperazin-1-amine is C=C1CNCCN1N(C)F.
What is the InChIKey of N-fluoro-N-methyl-2-methylidenepiperazin-1-amine?
The InChIKey is QRMMOHOUSLQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-6-5-8-3-4-10(6)9(2)7/h8H,1,3-5H2,2H3.
What are the key properties of N-fluoro-N-methyl-2-methylidenepiperazin-1-amine?
N-fluoro-N-methyl-2-methylidenepiperazin-1-amine has a molecular weight of 145.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-methyl-2-methylidenepiperazin-1-amine is sourced from PubChem (CID 134250408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).