N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine

C9H17N5O — CID 107049447

IUPACN-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1CCCO1
InChIInChI=1S/C9H17N5O/c1-10-7(8-4-3-5-15-8)6-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyRLWUFESKSASYDE-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.48
Rot. Bonds4

About N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine

N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine (PubChem CID 107049447) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
PubChem CID107049447
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)C1CCCO1
InChIInChI=1S/C9H17N5O/c1-10-7(8-4-3-5-15-8)6-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3
InChIKeyRLWUFESKSASYDE-UHFFFAOYSA-N
XLogP-0.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine (CID 107049447) is N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine is CNC(Cc1nnn(C)n1)C1CCCO1.
What is the InChIKey of N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is RLWUFESKSASYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-10-7(8-4-3-5-15-8)6-9-11-13-14(2)12-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine?
N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 211.27 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 107049447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).