(7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine

C9H17FN2 — CID 131995467

IUPAC(7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine
SMILESCN(C)C1CCC/C=C\NC1F
InChIInChI=1S/C9H17FN2/c1-12(2)8-6-4-3-5-7-11-9(8)10/h5,7-9,11H,3-4,6H2,1-2H3/b7-5-
InChIKeyDGWZIVVWXZVULZ-ALCCZGGFSA-N
MW172.25 g/mol
LogP1.50
Rot. Bonds1

About (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine

(7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine (PubChem CID 131995467) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine.

Molecular Properties

Compound Name(7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine
PubChem CID131995467
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine
SMILESCN(C)C1CCC/C=C\NC1F
InChIInChI=1S/C9H17FN2/c1-12(2)8-6-4-3-5-7-11-9(8)10/h5,7-9,11H,3-4,6H2,1-2H3/b7-5-
InChIKeyDGWZIVVWXZVULZ-ALCCZGGFSA-N
XLogP1.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine
CID 158852291
N,N,2-trimethylcyclopentan-1-amine
CID 23553747
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 129113118
(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol
CID 157254014
cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 55281587
trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
CID 58431838
(1S,8R)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 124665894
(3aR,4R,7aR)-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-amine
CID 129406942
2-(3-aminopropyl)-N,N-dimethylcyclopentan-1-amine
CID 82412270
trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
CID 59356674
carbanide;cyclopentane;2-iodo-N,N-dimethylcyclopentan-1-amine;iron(2+)
CID 162293255
[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
CID 170429908

Frequently Asked Questions

What is the IUPAC name of (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine?
The IUPAC name of (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine (CID 131995467) is (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine.
What is the SMILES notation for (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine?
The canonical SMILES for (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine is CN(C)C1CCC/C=C\NC1F.
What is the InChIKey of (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine?
The InChIKey is DGWZIVVWXZVULZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H17FN2/c1-12(2)8-6-4-3-5-7-11-9(8)10/h5,7-9,11H,3-4,6H2,1-2H3/b7-5-.
What are the key properties of (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine?
(7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine has a molecular weight of 172.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-fluoro-N,N-dimethyl-1,2,3,4,5,6-hexahydroazocin-3-amine is sourced from PubChem (CID 131995467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).