N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine

C9H17N5O — CID 107044764

IUPACN-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-10-8-3-4-15-6-7(8)5-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyKDSAVJGCXDOMMJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.62
Rot. Bonds3

About N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine

N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine (PubChem CID 107044764) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
PubChem CID107044764
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
SMILESCNC1CCOCC1Cc1nnn(C)n1
InChIInChI=1S/C9H17N5O/c1-10-8-3-4-15-6-7(8)5-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyKDSAVJGCXDOMMJ-UHFFFAOYSA-N
XLogP-0.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
CID 107052361
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methyloxan-4-amine
CID 106469199
N-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxan-4-amine
CID 106469090
(3R,4R)-3-[(4-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167881
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
(3R,4R)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167857
(3S,4S)-3-[(4-bromophenyl)methyl]-N-methyloxan-4-amine
CID 97167860
(3R,4R)-3-[(3-chlorophenyl)methyl]-N-methyloxan-4-amine
CID 97167889
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
(3R,4R)-3-[(2-fluorophenyl)methyl]-N-methyloxan-4-amine
CID 97167909
3-[(4-bromothiophen-2-yl)methyl]-N-methyloxan-4-amine
CID 106469214

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine (CID 107044764) is N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine is CNC1CCOCC1Cc1nnn(C)n1.
What is the InChIKey of N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
The InChIKey is KDSAVJGCXDOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-10-8-3-4-15-6-7(8)5-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine?
N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine has a molecular weight of 211.27 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine is sourced from PubChem (CID 107044764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).