ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine

C14H24N2O — CID 168930732

IUPACethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
SMILESCC.CC(C)c1ccnc(NCC2COC2)c1
InChIInChI=1S/C12H18N2O.C2H6/c1-9(2)11-3-4-13-12(5-11)14-6-10-7-15-8-10;1-2/h3-5,9-10H,6-8H2,1-2H3,(H,13,14);1-2H3
InChIKeyGBMVUFUZIUMIDT-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.29
Rot. Bonds4

About ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine

ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine (PubChem CID 168930732) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Nameethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
PubChem CID168930732
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
SMILESCC.CC(C)c1ccnc(NCC2COC2)c1
InChIInChI=1S/C12H18N2O.C2H6/c1-9(2)11-3-4-13-12(5-11)14-6-10-7-15-8-10;1-2/h3-5,9-10H,6-8H2,1-2H3,(H,13,14);1-2H3
InChIKeyGBMVUFUZIUMIDT-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
The IUPAC name of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine (CID 168930732) is ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine is CC.CC(C)c1ccnc(NCC2COC2)c1.
What is the InChIKey of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
The InChIKey is GBMVUFUZIUMIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-9(2)11-3-4-13-12(5-11)14-6-10-7-15-8-10;1-2/h3-5,9-10H,6-8H2,1-2H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine?
ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 168930732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).