ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

C14H29F3N2 — CID 170617185

IUPACethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCC.CC(C)NC1CCC2(CNC2)CC1C(F)(F)F.[H][H]
InChIInChI=1S/C12H21F3N2.C2H6.H2/c1-8(2)17-10-3-4-11(6-16-7-11)5-9(10)12(13,14)15;1-2;/h8-10,16-17H,3-7H2,1-2H3;1-2H3;1H
InChIKeyDTQFHTDNSVPTDM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.58
Rot. Bonds2

About ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (PubChem CID 170617185) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
PubChem CID170617185
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Nameethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCC.CC(C)NC1CCC2(CNC2)CC1C(F)(F)F.[H][H]
InChIInChI=1S/C12H21F3N2.C2H6.H2/c1-8(2)17-10-3-4-11(6-16-7-11)5-9(10)12(13,14)15;1-2;/h8-10,16-17H,3-7H2,1-2H3;1-2H3;1H
InChIKeyDTQFHTDNSVPTDM-UHFFFAOYSA-N
XLogP3.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The IUPAC name of ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (CID 170617185) is ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.
What is the SMILES notation for ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The canonical SMILES for ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is CC.CC(C)NC1CCC2(CNC2)CC1C(F)(F)F.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The InChIKey is DTQFHTDNSVPTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2.C2H6.H2/c1-8(2)17-10-3-4-11(6-16-7-11)5-9(10)12(13,14)15;1-2;/h8-10,16-17H,3-7H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine has a molecular weight of 282.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 170617185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).