N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine

C11H19N5O — CID 62763114

IUPACN-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESC1CCC(Cn2nnnc2CNC2CC2)OC1
InChIInChI=1S/C11H19N5O/c1-2-6-17-10(3-1)8-16-11(13-14-15-16)7-12-9-4-5-9/h9-10,12H,1-8H2
InChIKeyJWCHGCCMLRCXCN-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.49
Rot. Bonds5

About N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 62763114) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID62763114
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESC1CCC(Cn2nnnc2CNC2CC2)OC1
InChIInChI=1S/C11H19N5O/c1-2-6-17-10(3-1)8-16-11(13-14-15-16)7-12-9-4-5-9/h9-10,12H,1-8H2
InChIKeyJWCHGCCMLRCXCN-UHFFFAOYSA-N
XLogP0.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
CID 62736301
N-[[1-(2-cyclopentylethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737833
1-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861301
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687
N-[[1-[(4-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 63243927
N-[[1-(2-cyclohexylethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62735610
N-[[1-(2-cyclohexyloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63827261
4-[1-(oxan-2-ylmethyl)tetrazol-5-yl]aniline
CID 55014530
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-(oxolan-2-ylmethyl)-5-(3-phenylpropyl)tetrazole
CID 71860522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 62763114) is N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine is C1CCC(Cn2nnnc2CNC2CC2)OC1.
What is the InChIKey of N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is JWCHGCCMLRCXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-6-17-10(3-1)8-16-11(13-14-15-16)7-12-9-4-5-9/h9-10,12H,1-8H2.
What are the key properties of N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 237.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62763114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).