N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine

C16H31FN2 — CID 176823991

IUPACN-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
SMILESCC(C)N1CCC2(CCC(NC(C)(C)F)CC2)CC1
InChIInChI=1S/C16H31FN2/c1-13(2)19-11-9-16(10-12-19)7-5-14(6-8-16)18-15(3,4)17/h13-14,18H,5-12H2,1-4H3
InChIKeyXOGNYMCPFDGXIN-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.71
Rot. Bonds3

About N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine

N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine (PubChem CID 176823991) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
PubChem CID176823991
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC NameN-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
SMILESCC(C)N1CCC2(CCC(NC(C)(C)F)CC2)CC1
InChIInChI=1S/C16H31FN2/c1-13(2)19-11-9-16(10-12-19)7-5-14(6-8-16)18-15(3,4)17/h13-14,18H,5-12H2,1-4H3
InChIKeyXOGNYMCPFDGXIN-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine (CID 176823991) is N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine is CC(C)N1CCC2(CCC(NC(C)(C)F)CC2)CC1.
What is the InChIKey of N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is XOGNYMCPFDGXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-13(2)19-11-9-16(10-12-19)7-5-14(6-8-16)18-15(3,4)17/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine?
N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 270.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropan-2-yl)-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 176823991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).