N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine

C15H21N5O — CID 3992813

IUPACN,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine
SMILESCNC1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C15H21N5O/c1-14(2)11-15(16-3,9-10-21-14)13-17-18-19-20(13)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3
InChIKeyAYFZWHGTBVLBLC-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.67
Rot. Bonds3

About N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine

N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine (PubChem CID 3992813) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine
PubChem CID3992813
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine
SMILESCNC1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1
InChIInChI=1S/C15H21N5O/c1-14(2)11-15(16-3,9-10-21-14)13-17-18-19-20(13)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3
InChIKeyAYFZWHGTBVLBLC-UHFFFAOYSA-N
XLogP1.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.67
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-phenyltetrazol-5-yl)oxan-4-amine?
The IUPAC name of N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine (CID 3992813) is N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine.
What is the SMILES notation for N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine?
The canonical SMILES for N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine is CNC1(c2nnnn2-c2ccccc2)CCOC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine?
The InChIKey is AYFZWHGTBVLBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-14(2)11-15(16-3,9-10-21-14)13-17-18-19-20(13)12-7-5-4-6-8-12/h4-8,16H,9-11H2,1-3H3.
What are the key properties of N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine?
N,2,2-trimethyl-4-(1-phenyltetrazol-5-yl)oxan-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.67, 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-phenyltetrazol-5-yl)oxan-4-amine is sourced from PubChem (CID 3992813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).