N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine

C16H23N5O — CID 5217553

IUPACN,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine
SMILESCNC1(c2nnnn2-c2ccccc2C)CCOC(C)(C)C1
InChIInChI=1S/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3
InChIKeyQQCALNKNJVMBKN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.97
Rot. Bonds3

About N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine

N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine (PubChem CID 5217553) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine
PubChem CID5217553
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine
SMILESCNC1(c2nnnn2-c2ccccc2C)CCOC(C)(C)C1
InChIInChI=1S/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3
InChIKeyQQCALNKNJVMBKN-UHFFFAOYSA-N
XLogP1.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine?
The IUPAC name of N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine (CID 5217553) is N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine.
What is the SMILES notation for N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine?
The canonical SMILES for N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine is CNC1(c2nnnn2-c2ccccc2C)CCOC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine?
The InChIKey is QQCALNKNJVMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-7-5-6-8-13(12)21-14(18-19-20-21)16(17-4)9-10-22-15(2,3)11-16/h5-8,17H,9-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine?
N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine has a molecular weight of 301.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-[1-(2-methylphenyl)tetrazol-5-yl]oxan-4-amine is sourced from PubChem (CID 5217553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).