N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine

C9H17N5O2 — CID 107042678

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
SMILESCOC1(CNCc2nnn(C)n2)CCOC1
InChIInChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)5-10-6-9(15-2)3-4-16-7-9/h10H,3-7H2,1-2H3
InChIKeyQVUASSTZKJRLDA-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.89
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine

N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine (PubChem CID 107042678) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
PubChem CID107042678
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
SMILESCOC1(CNCc2nnn(C)n2)CCOC1
InChIInChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)5-10-6-9(15-2)3-4-16-7-9/h10H,3-7H2,1-2H3
InChIKeyQVUASSTZKJRLDA-UHFFFAOYSA-N
XLogP-0.89
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107166975
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704877
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113450199
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 104704966
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760798
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 104759716
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
1-(2-ethyl-1,2,4-triazol-3-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104760674
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine (CID 107042678) is N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine is COC1(CNCc2nnn(C)n2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine?
The InChIKey is QVUASSTZKJRLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-14-12-8(11-13-14)5-10-6-9(15-2)3-4-16-7-9/h10H,3-7H2,1-2H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine has a molecular weight of 227.27 g/mol, XLogP of -0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine is sourced from PubChem (CID 107042678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).