N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

C11H21N5O — CID 107053238

IUPACN-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2nnn(C)n2)CCOC1
InChIInChI=1S/C11H21N5O/c1-9(2)12-7-11(4-5-17-8-11)6-10-13-15-16(3)14-10/h9,12H,4-8H2,1-3H3
InChIKeyAXOTVQIEVMNQPS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.16
Rot. Bonds5

About N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine

N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 107053238) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID107053238
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2nnn(C)n2)CCOC1
InChIInChI=1S/C11H21N5O/c1-9(2)12-7-11(4-5-17-8-11)6-10-13-15-16(3)14-10/h9,12H,4-8H2,1-3H3
InChIKeyAXOTVQIEVMNQPS-UHFFFAOYSA-N
XLogP0.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-ethyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 105729813
N-ethyl-1-(2-ethyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 105729814
1-(2-methyloxolan-3-yl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 105736111
N-methyl-1-[3-[(2-methyltetrazol-5-yl)methyl]oxan-3-yl]methanamine
CID 105793885
N-[[3-[(2-methyltetrazol-5-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 105793961
N-[[3-[(2-methyltetrazol-5-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 105794029
2-methyl-N-[[3-[(2-methyltetrazol-5-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 105794356
2-methyl-N-[[3-[(2-methyltetrazol-5-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 105794431
N-[(2-methyltetrazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 107042746
2-Methyl-5-(2-pyrrolidin-3-ylethoxymethyl)tetrazole
CID 107044487
N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
CID 107044764
N-ethyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
CID 107044766

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine (CID 107053238) is N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2nnn(C)n2)CCOC1.
What is the InChIKey of N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is AXOTVQIEVMNQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)12-7-11(4-5-17-8-11)6-10-13-15-16(3)14-10/h9,12H,4-8H2,1-3H3.
What are the key properties of N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methyltetrazol-5-yl)methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).