2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine

C16H28FNO — CID 163757290

IUPAC2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(F)C=CC(C2(CCN)CCOC(C)(C)C2)CC1
InChIInChI=1S/C16H28FNO/c1-14(2)12-16(8-10-18,9-11-19-14)13-4-6-15(3,17)7-5-13/h4,6,13H,5,7-12,18H2,1-3H3
InChIKeyLVEDEMSUUBXUOU-UHFFFAOYSA-N
MW269.40 g/mol
LogP3.61
Rot. Bonds3

About 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine

2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine (PubChem CID 163757290) has the molecular formula C16H28FNO and a molecular weight of 269.40 g/mol. Its IUPAC name is 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine
PubChem CID163757290
Molecular FormulaC16H28FNO
Molecular Weight269.40 g/mol
Exact Mass269.22
IUPAC Name2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine
SMILESCC1(F)C=CC(C2(CCN)CCOC(C)(C)C2)CC1
InChIInChI=1S/C16H28FNO/c1-14(2)12-16(8-10-18,9-11-19-14)13-4-6-15(3,17)7-5-13/h4,6,13H,5,7-12,18H2,1-3H3
InChIKeyLVEDEMSUUBXUOU-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 53.61
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

(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
CID 143436133
5,5-Dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
CID 79923139
5,5-Dimethyl-3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
CID 79923275
5,5-Dimethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohex-2-en-1-amine
CID 79923645
(3-Cyclohex-2-en-1-yloxan-3-yl)methanamine
CID 130514951

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine (CID 163757290) is 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine is CC1(F)C=CC(C2(CCN)CCOC(C)(C)C2)CC1.
What is the InChIKey of 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine?
The InChIKey is LVEDEMSUUBXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FNO/c1-14(2)12-16(8-10-18,9-11-19-14)13-4-6-15(3,17)7-5-13/h4,6,13H,5,7-12,18H2,1-3H3.
What are the key properties of 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine?
2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine has a molecular weight of 269.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine is sourced from PubChem (CID 163757290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).