2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine

C15H28FNO2 — CID 107443839

IUPAC2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28FNO2/c1-11(2)13(10-17)14(16)12-3-6-19-15(9-12)4-7-18-8-5-15/h11-14H,3-10,17H2,1-2H3
InChIKeyZBPKTLMNPNPKBZ-UHFFFAOYSA-N
MW273.39 g/mol
LogP2.53
Rot. Bonds4

About 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine

2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine (PubChem CID 107443839) has the molecular formula C15H28FNO2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
PubChem CID107443839
Molecular FormulaC15H28FNO2
Molecular Weight273.39 g/mol
Exact Mass273.21
IUPAC Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)C(F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H28FNO2/c1-11(2)13(10-17)14(16)12-3-6-19-15(9-12)4-7-18-8-5-15/h11-14H,3-10,17H2,1-2H3
InChIKeyZBPKTLMNPNPKBZ-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1,9-Dioxaspiro[5.5]undecan-4-yl}methanamine hydrochloride
CID 134690888
3-(2,2-Dimethyloxan-4-yl)-4-methylpentan-1-amine
CID 3741343
(1,9-Dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79905069
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 79954615
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148028
3-(2,2-Difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 103148899
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-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 103392600
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
4-Fluoro-5-methoxy-4-(6-oxaspiro[4.5]decan-9-yl)pentan-1-amine
CID 103392686

Frequently Asked Questions

What is the IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine (CID 107443839) is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine is CC(C)C(CN)C(F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine?
The InChIKey is ZBPKTLMNPNPKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO2/c1-11(2)13(10-17)14(16)12-3-6-19-15(9-12)4-7-18-8-5-15/h11-14H,3-10,17H2,1-2H3.
What are the key properties of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine?
2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine has a molecular weight of 273.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(fluoro)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).