2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine

C7H14FN3 — CID 156512557

IUPAC2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine
SMILES[H]/N=C/C(C)(F)C(CC)NN=C
InChIInChI=1S/C7H14FN3/c1-4-6(11-10-3)7(2,8)5-9/h5-6,9,11H,3-4H2,1-2H3/b9-5+
InChIKeyQXALUCQCOJJBKW-WEVVVXLNSA-N
MW159.21 g/mol
LogP1.35
Rot. Bonds5

About 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine

2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine (PubChem CID 156512557) has the molecular formula C7H14FN3 and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine.

Molecular Properties

Compound Name2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine
PubChem CID156512557
Molecular FormulaC7H14FN3
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine
SMILES[H]/N=C/C(C)(F)C(CC)NN=C
InChIInChI=1S/C7H14FN3/c1-4-6(11-10-3)7(2,8)5-9/h5-6,9,11H,3-4H2,1-2H3/b9-5+
InChIKeyQXALUCQCOJJBKW-WEVVVXLNSA-N
XLogP1.35
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine?
The IUPAC name of 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine (CID 156512557) is 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine.
What is the SMILES notation for 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine?
The canonical SMILES for 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine is [H]/N=C/C(C)(F)C(CC)NN=C.
What is the InChIKey of 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine?
The InChIKey is QXALUCQCOJJBKW-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H14FN3/c1-4-6(11-10-3)7(2,8)5-9/h5-6,9,11H,3-4H2,1-2H3/b9-5+.
What are the key properties of 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine?
2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine has a molecular weight of 159.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-imino-2-methyl-N-(methylideneamino)pentan-3-amine is sourced from PubChem (CID 156512557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).