N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine

C9H17N5O — CID 62736301

IUPACN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CC1CCCO1
InChIInChI=1S/C9H17N5O/c1-2-10-6-9-11-12-13-14(9)7-8-4-3-5-15-8/h8,10H,2-7H2,1H3
InChIKeyVEMHKHDIBMRERT-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.04
Rot. Bonds5

About N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62736301) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62736301
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1CC1CCCO1
InChIInChI=1S/C9H17N5O/c1-2-10-6-9-11-12-13-14(9)7-8-4-3-5-15-8/h8,10H,2-7H2,1H3
InChIKeyVEMHKHDIBMRERT-UHFFFAOYSA-N
XLogP-0.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(oxan-2-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62763114
1-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861301
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 114130101
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 126836605
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
1-(oxolan-2-ylmethyl)-5-(3-phenylpropyl)tetrazole
CID 71860522
1-[[(2R)-oxolan-2-yl]methyl]-5-(3-phenylpropyl)tetrazole
CID 96563588
N-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51240238
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine (CID 62736301) is N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1CC1CCCO1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is VEMHKHDIBMRERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-10-6-9-11-12-13-14(9)7-8-4-3-5-15-8/h8,10H,2-7H2,1H3.
What are the key properties of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 211.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62736301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).