1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine

C12H22FN — CID 155274423

IUPAC1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine
SMILESCNCC1(C)C=CCCC(C)(F)CC1
InChIInChI=1S/C12H22FN/c1-11(10-14-3)6-4-5-7-12(2,13)9-8-11/h4,6,14H,5,7-10H2,1-3H3
InChIKeyIJTRAYBLSHFOSD-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.07
Rot. Bonds2

About 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine

1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine (PubChem CID 155274423) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine
PubChem CID155274423
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine
SMILESCNCC1(C)C=CCCC(C)(F)CC1
InChIInChI=1S/C12H22FN/c1-11(10-14-3)6-4-5-7-12(2,13)9-8-11/h4,6,14H,5,7-10H2,1-3H3
InChIKeyIJTRAYBLSHFOSD-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundec-6-en-1-amine
CID 89198945
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
CID 123908512
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
2-[(1S)-4-ethyl-4-fluorocyclohex-2-en-1-yl]-2-methylpropan-1-amine
CID 139323969
(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine
CID 139423571
(Z)-10-fluoro-N,2,2,4,4-pentamethyldec-6-en-1-amine
CID 143769144
3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine
CID 155274701
4-[(E)-2-fluorobut-1-enyl]-N-methylnonan-1-amine
CID 164053754
(1S)-1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine
CID 170286984
1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine
CID 170287015
[(1R,5S)-1-butyl-5-fluorocyclohex-2-en-1-yl]methanamine
CID 170622229

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine (CID 155274423) is 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine is CNCC1(C)C=CCCC(C)(F)CC1.
What is the InChIKey of 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine?
The InChIKey is IJTRAYBLSHFOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(10-14-3)6-4-5-7-12(2,13)9-8-11/h4,6,14H,5,7-10H2,1-3H3.
What are the key properties of 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine?
1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine has a molecular weight of 199.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine is sourced from PubChem (CID 155274423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).