(7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

C14H25F3N2 — CID 170616986

IUPAC(7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCCN[C@H]1CCC2(CC1C(F)(F)F)CN(C(C)C)C2
InChIInChI=1S/C14H25F3N2/c1-4-18-12-5-6-13(7-11(12)14(15,16)17)8-19(9-13)10(2)3/h10-12,18H,4-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyIEOSXLKMDCYKRK-KIYNQFGBSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds3

About (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine

(7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (PubChem CID 170616986) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.

Molecular Properties

Compound Name(7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
PubChem CID170616986
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name(7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine
SMILESCCN[C@H]1CCC2(CC1C(F)(F)F)CN(C(C)C)C2
InChIInChI=1S/C14H25F3N2/c1-4-18-12-5-6-13(7-11(12)14(15,16)17)8-19(9-13)10(2)3/h10-12,18H,4-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyIEOSXLKMDCYKRK-KIYNQFGBSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The IUPAC name of (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine (CID 170616986) is (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine.
What is the SMILES notation for (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The canonical SMILES for (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is CCN[C@H]1CCC2(CC1C(F)(F)F)CN(C(C)C)C2.
What is the InChIKey of (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
The InChIKey is IEOSXLKMDCYKRK-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-4-18-12-5-6-13(7-11(12)14(15,16)17)8-19(9-13)10(2)3/h10-12,18H,4-9H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine?
(7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-ethyl-2-propan-2-yl-6-(trifluoromethyl)-2-azaspiro[3.5]nonan-7-amine is sourced from PubChem (CID 170616986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).