6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine

C10H17FN2 — CID 123191906

IUPAC6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine
SMILES[H]/N=C/C(C)CNC1CC=CCC1F
InChIInChI=1S/C10H17FN2/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-3,6,8-10,12-13H,4-5,7H2,1H3/b12-6+
InChIKeyYKMPIBSBHGTLTI-WUXMJOGZSA-N
MW184.26 g/mol
LogP1.92
Rot. Bonds4

About 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine

6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine (PubChem CID 123191906) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine
PubChem CID123191906
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine
SMILES[H]/N=C/C(C)CNC1CC=CCC1F
InChIInChI=1S/C10H17FN2/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-3,6,8-10,12-13H,4-5,7H2,1H3/b12-6+
InChIKeyYKMPIBSBHGTLTI-WUXMJOGZSA-N
XLogP1.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1E,2R)-N-[3-(4-fluorocyclohexa-1,3-dien-1-yl)propyl]-1-hydrazinylidenepropan-2-amine
CID 172940092
1-imino-N-methylhept-5-en-2-amine
CID 123138426
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
CID 138549377

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine?
The IUPAC name of 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine (CID 123191906) is 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine?
The canonical SMILES for 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine is [H]/N=C/C(C)CNC1CC=CCC1F.
What is the InChIKey of 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine?
The InChIKey is YKMPIBSBHGTLTI-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H17FN2/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-3,6,8-10,12-13H,4-5,7H2,1H3/b12-6+.
What are the key properties of 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine?
6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine has a molecular weight of 184.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-imino-2-methylpropyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 123191906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).