4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine

C14H28FNO — CID 103392563

IUPAC4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CC(C)CC(C)C1
InChIInChI=1S/C14H28FNO/c1-11-7-12(2)9-13(8-11)14(15,10-17-3)5-4-6-16/h11-13H,4-10,16H2,1-3H3
InChIKeyLBBFCUUEVCHSBM-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.15
Rot. Bonds6

About 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine

4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392563) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392563
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)C1CC(C)CC(C)C1
InChIInChI=1S/C14H28FNO/c1-11-7-12(2)9-13(8-11)14(15,10-17-3)5-4-6-16/h11-13H,4-10,16H2,1-3H3
InChIKeyLBBFCUUEVCHSBM-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
4-(4-ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392599
2-(3,5-dimethylcyclohexyl)-2-fluorobutan-1-amine
CID 112566172
1-[5,5-dibromo-1-methoxy-2-(methoxymethyl)pentan-2-yl]-3,5-dimethylcyclohexane
CID 174162240
4,8,8,8-tetrafluoro-4-(methoxymethyl)octan-1-amine
CID 103392538
5-amino-2-cyclobutyl-1-methoxypentan-2-ol
CID 103391375
4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
CID 103392579
4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-5-yl)pentan-1-amine
CID 103392640
3-(3-methylcyclobutyl)propan-1-amine
CID 119055095
4-fluoro-4-(methoxymethyl)non-7-yn-1-amine
CID 103392609
4-fluoro-4-(methoxymethyl)-5-methyloctan-1-amine
CID 107889807
4-fluoro-5-methoxy-4-thiophen-2-ylpentan-1-amine
CID 103392463

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine (CID 103392563) is 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)C1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is LBBFCUUEVCHSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-11-7-12(2)9-13(8-11)14(15,10-17-3)5-4-6-16/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine?
4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 245.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).