(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine

C14H19N3O — CID 124573663

IUPAC(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine
SMILESCCn1nc(CN[C@H]2CCOC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-17-14-6-4-3-5-12(14)13(16-17)9-15-11-7-8-18-10-11/h3-6,11,15H,2,7-10H2,1H3/t11-/m0/s1
InChIKeyJTSPVATYELRHQG-NSHDSACASA-N
MW245.33 g/mol
LogP1.93
Rot. Bonds4

About (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine

(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine (PubChem CID 124573663) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine
PubChem CID124573663
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine
SMILESCCn1nc(CN[C@H]2CCOC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-17-14-6-4-3-5-12(14)13(16-17)9-15-11-7-8-18-10-11/h3-6,11,15H,2,7-10H2,1H3/t11-/m0/s1
InChIKeyJTSPVATYELRHQG-NSHDSACASA-N
XLogP1.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine (CID 124573663) is (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine is CCn1nc(CN[C@H]2CCOC2)c2ccccc21.
What is the InChIKey of (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is JTSPVATYELRHQG-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-14-6-4-3-5-12(14)13(16-17)9-15-11-7-8-18-10-11/h3-6,11,15H,2,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine?
(3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 245.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-ethylindazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 124573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).