2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine

C16H30FNO — CID 107443728

IUPAC2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30FNO/c1-12(2)14(11-18)15(17)13-6-9-19-16(10-13)7-4-3-5-8-16/h12-15H,3-11,18H2,1-2H3
InChIKeyKUHZTKZYLOPTGO-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.68
Rot. Bonds4

About 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine

2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443728) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443728
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30FNO/c1-12(2)14(11-18)15(17)13-6-9-19-16(10-13)7-4-3-5-8-16/h12-15H,3-11,18H2,1-2H3
InChIKeyKUHZTKZYLOPTGO-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-Dimethyloxan-4-yl)-4-methylpentan-1-amine
CID 3741343
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930
4,4,4-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954090
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-5-methoxy-4-(3-methylcyclohexyl)pentan-1-amine
CID 103392496
4-Cyclohexyl-4-fluoro-5-methoxypentan-1-amine
CID 103392516
4-(3,5-Dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392563
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
2,2-Difluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 103516925
4-Fluoro-4-(1-oxaspiro[5.5]undecan-4-yl)azepane
CID 103983984
3-Fluoro-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 104276949

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine (CID 107443728) is 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is KUHZTKZYLOPTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-12(2)14(11-18)15(17)13-6-9-19-16(10-13)7-4-3-5-8-16/h12-15H,3-11,18H2,1-2H3.
What are the key properties of 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 271.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).