2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C16H30FNO — CID 112566439

IUPAC2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30FNO/c1-14(2,3)16(17,12-18)13-7-10-19-15(11-13)8-5-4-6-9-15/h13H,4-12,18H2,1-3H3
InChIKeyHTEIDOKBWZRVAC-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.83
Rot. Bonds2

About 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 112566439) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID112566439
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCC(C)(C)C(F)(CN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H30FNO/c1-14(2,3)16(17,12-18)13-7-10-19-15(11-13)8-5-4-6-9-15/h13H,4-12,18H2,1-3H3
InChIKeyHTEIDOKBWZRVAC-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 112566439) is 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is CC(C)(C)C(F)(CN)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is HTEIDOKBWZRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-14(2,3)16(17,12-18)13-7-10-19-15(11-13)8-5-4-6-9-15/h13H,4-12,18H2,1-3H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 271.42 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 112566439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).