5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine

C13H23F2NO — CID 114225487

IUPAC5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOCC(=CC1CCCC(F)(F)C1)CCCN
InChIInChI=1S/C13H23F2NO/c1-17-10-12(5-3-7-16)8-11-4-2-6-13(14,15)9-11/h8,11H,2-7,9-10,16H2,1H3
InChIKeyUMEXIKYUNRSXDG-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.12
Rot. Bonds6

About 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine

5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine (PubChem CID 114225487) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine
PubChem CID114225487
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOCC(=CC1CCCC(F)(F)C1)CCCN
InChIInChI=1S/C13H23F2NO/c1-17-10-12(5-3-7-16)8-11-4-2-6-13(14,15)9-11/h8,11H,2-7,9-10,16H2,1H3
InChIKeyUMEXIKYUNRSXDG-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-3-(trifluoromethoxymethyl)cyclohex-3-en-1-yl]methanamine
CID 118640494
2-(difluoromethyl)-3-[(3S)-2-methyl-3,6-dihydro-2H-pyran-3-yl]butan-1-amine
CID 143900815
(Z)-2-cyclohexyl-4-(trifluoromethoxy)but-2-en-1-amine
CID 145504429
8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
(Z)-6-ethyl-4-(methoxymethyl)oct-4-en-1-amine
CID 103392092
4-(Methoxymethyl)-8-methylnon-4-en-1-amine
CID 103392093
(Z)-6-ethyl-4-(methoxymethyl)dec-4-en-1-amine
CID 103392098
5-Cyclopentyl-4-(methoxymethyl)pent-4-en-1-amine
CID 103392139
5-Methoxy-4-(4-methylcyclohexylidene)pentan-1-amine
CID 103392143
4-(3,5-Dimethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392167
4-(4-Ethylcyclohexylidene)-5-methoxypentan-1-amine
CID 103392169

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine?
The IUPAC name of 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine (CID 114225487) is 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine?
The canonical SMILES for 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine is COCC(=CC1CCCC(F)(F)C1)CCCN.
What is the InChIKey of 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine?
The InChIKey is UMEXIKYUNRSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-17-10-12(5-3-7-16)8-11-4-2-6-13(14,15)9-11/h8,11H,2-7,9-10,16H2,1H3.
What are the key properties of 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine?
5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine has a molecular weight of 247.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclohexyl)-4-(methoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 114225487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).