2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine

C15H28FNO — CID 107443837

IUPAC2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28FNO/c1-11(2)13(10-17)14(16)12-5-8-18-15(9-12)6-3-4-7-15/h11-14H,3-10,17H2,1-2H3
InChIKeyPOZVCBPITRGAGX-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.29
Rot. Bonds4

About 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine

2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443837) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443837
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H28FNO/c1-11(2)13(10-17)14(16)12-5-8-18-15(9-12)6-3-4-7-15/h11-14H,3-10,17H2,1-2H3
InChIKeyPOZVCBPITRGAGX-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.29
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
2-(2-ethyl-4-isopropyl-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 4371711
2-[6-Oxaspiro[4.5]decan-9-yl] ethylamine
CID 79920888
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915034
4,4,4-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953439
1-(6-Oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147974
3-(2,2-Difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148828
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312175
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(Cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392526
4-Fluoro-5-methoxy-4-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Cyclopentyl-4-fluoro-5-methoxypentan-1-amine
CID 103392626

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine (CID 107443837) is 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is POZVCBPITRGAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-11(2)13(10-17)14(16)12-5-8-18-15(9-12)6-3-4-7-15/h11-14H,3-10,17H2,1-2H3.
What are the key properties of 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 257.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(6-oxaspiro[4.5]decan-9-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).