N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine

C16H23N3O — CID 106469419

IUPACN-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-17-14-8-9-20-11-12(14)10-15-13-6-4-5-7-16(13)19(2)18-15/h4-7,12,14,17H,3,8-11H2,1-2H3
InChIKeyXHTXFZCMFKOZHO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds4

About N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine

N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine (PubChem CID 106469419) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
PubChem CID106469419
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1Cc1nn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-3-17-14-8-9-20-11-12(14)10-15-13-6-4-5-7-16(13)19(2)18-15/h4-7,12,14,17H,3,8-11H2,1-2H3
InChIKeyXHTXFZCMFKOZHO-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine (CID 106469419) is N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine is CCNC1CCOCC1Cc1nn(C)c2ccccc12.
What is the InChIKey of N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine?
The InChIKey is XHTXFZCMFKOZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-17-14-8-9-20-11-12(14)10-15-13-6-4-5-7-16(13)19(2)18-15/h4-7,12,14,17H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine?
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106469419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).