3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine

C15H28FN — CID 155274701

IUPAC3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine
SMILESCC/C=C/C1CCC(C)(F)CCC(NC)C1C
InChIInChI=1S/C15H28FN/c1-5-6-7-13-8-10-15(3,16)11-9-14(17-4)12(13)2/h6-7,12-14,17H,5,8-11H2,1-4H3/b7-6+
InChIKeyIKNUZWBBDCYHJS-VOTSOKGWSA-N
MW241.39 g/mol
LogP4.10
Rot. Bonds3

About 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine

3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine (PubChem CID 155274701) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine
PubChem CID155274701
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine
SMILESCC/C=C/C1CCC(C)(F)CCC(NC)C1C
InChIInChI=1S/C15H28FN/c1-5-6-7-13-8-10-15(3,16)11-9-14(17-4)12(13)2/h6-7,12-14,17H,5,8-11H2,1-4H3/b7-6+
InChIKeyIKNUZWBBDCYHJS-VOTSOKGWSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.10
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

Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
CID 89089180
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-dimethylpyrrolidine
CID 123882757
5-fluoro-N,5,8,8-tetramethylcyclooct-2-en-1-amine
CID 123908512
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine?
The IUPAC name of 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine (CID 155274701) is 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine.
What is the SMILES notation for 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine?
The canonical SMILES for 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine is CC/C=C/C1CCC(C)(F)CCC(NC)C1C.
What is the InChIKey of 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine?
The InChIKey is IKNUZWBBDCYHJS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H28FN/c1-5-6-7-13-8-10-15(3,16)11-9-14(17-4)12(13)2/h6-7,12-14,17H,5,8-11H2,1-4H3/b7-6+.
What are the key properties of 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine?
3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine has a molecular weight of 241.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-6-fluoro-N,2,6-trimethylcyclooctan-1-amine is sourced from PubChem (CID 155274701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).