4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine

C13H26FNO — CID 103392496

IUPAC4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCC(C)C1
InChIInChI=1S/C13H26FNO/c1-11-5-3-6-12(9-11)13(14,10-16-2)7-4-8-15/h11-12H,3-10,15H2,1-2H3
InChIKeyPVXBRKIZRBFZSU-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.91
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine

4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine (PubChem CID 103392496) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine
PubChem CID103392496
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CCCC(C)C1
InChIInChI=1S/C13H26FNO/c1-11-5-3-6-12(9-11)13(14,10-16-2)7-4-8-15/h11-12H,3-10,15H2,1-2H3
InChIKeyPVXBRKIZRBFZSU-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine (CID 103392496) is 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine is COCC(F)(CCCN)C1CCCC(C)C1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine?
The InChIKey is PVXBRKIZRBFZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-11-5-3-6-12(9-11)13(14,10-16-2)7-4-8-15/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine?
4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine has a molecular weight of 231.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 103392496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).