(3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine

C14H19F3N2O — CID 177367920

IUPAC(3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine
SMILESCC(C)c1nc(CN[C@H]2CCOC2)ccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-9(2)13-12(14(15,16)17)4-3-10(19-13)7-18-11-5-6-20-8-11/h3-4,9,11,18H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyYLILEWKSQDZVGK-NSHDSACASA-N
MW288.31 g/mol
LogP3.10
Rot. Bonds4

About (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine

(3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine (PubChem CID 177367920) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine
PubChem CID177367920
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine
SMILESCC(C)c1nc(CN[C@H]2CCOC2)ccc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-9(2)13-12(14(15,16)17)4-3-10(19-13)7-18-11-5-6-20-8-11/h3-4,9,11,18H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyYLILEWKSQDZVGK-NSHDSACASA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine (CID 177367920) is (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine is CC(C)c1nc(CN[C@H]2CCOC2)ccc1C(F)(F)F.
What is the InChIKey of (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine?
The InChIKey is YLILEWKSQDZVGK-NSHDSACASA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(2)13-12(14(15,16)17)4-3-10(19-13)7-18-11-5-6-20-8-11/h3-4,9,11,18H,5-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine?
(3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine has a molecular weight of 288.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine is sourced from PubChem (CID 177367920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).