1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine

C12H22FN — CID 170287015

IUPAC1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine
SMILESCCC1(NC)CC=CC(C)(CCF)C1
InChIInChI=1S/C12H22FN/c1-4-12(14-3)7-5-6-11(2,10-12)8-9-13/h5-6,14H,4,7-10H2,1-3H3
InChIKeyNPGSRTOXRALTOY-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.07
Rot. Bonds4

About 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine

1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine (PubChem CID 170287015) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine
PubChem CID170287015
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine
SMILESCCC1(NC)CC=CC(C)(CCF)C1
InChIInChI=1S/C12H22FN/c1-4-12(14-3)7-5-6-11(2,10-12)8-9-13/h5-6,14H,4,7-10H2,1-3H3
InChIKeyNPGSRTOXRALTOY-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine
CID 88975393
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
(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine
CID 139423571
4-(1-fluorocyclohex-2-en-1-yl)-1-N-methylbutane-1,3-diamine
CID 141907261
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
CID 143703356
(Z)-10-fluoro-N,2,2,4,4-pentamethyldec-6-en-1-amine
CID 143769144
1-(6-fluoro-1,6-dimethylcyclooct-2-en-1-yl)-N-methylmethanamine
CID 155274423
(1S)-1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine
CID 170286984
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,5,5-trimethylhexan-1-amine
CID 145446704
N,3,5,5-Tetramethylcyclohex-2-en-1-amine
CID 21418607
N,4,4-trimethylcyclohex-2-en-1-amine
CID 56979088

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine (CID 170287015) is 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine is CCC1(NC)CC=CC(C)(CCF)C1.
What is the InChIKey of 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine?
The InChIKey is NPGSRTOXRALTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-12(14-3)7-5-6-11(2,10-12)8-9-13/h5-6,14H,4,7-10H2,1-3H3.
What are the key properties of 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine?
1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-fluoroethyl)-N,5-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 170287015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).