N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine

C12H25N5O — CID 107053165

IUPACN-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1nnn(C)n1
InChIInChI=1S/C12H25N5O/c1-5-6-12(2,10-13-7-8-18-4)9-11-14-16-17(3)15-11/h13H,5-10H2,1-4H3
InChIKeyZLJSSNOMMAMTSR-UHFFFAOYSA-N
MW255.37 g/mol
LogP0.80
Rot. Bonds9

About N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine

N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine (PubChem CID 107053165) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
PubChem CID107053165
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCCCC(C)(CNCCOC)Cc1nnn(C)n1
InChIInChI=1S/C12H25N5O/c1-5-6-12(2,10-13-7-8-18-4)9-11-14-16-17(3)15-11/h13H,5-10H2,1-4H3
InChIKeyZLJSSNOMMAMTSR-UHFFFAOYSA-N
XLogP0.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine (CID 107053165) is N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine is CCCC(C)(CNCCOC)Cc1nnn(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The InChIKey is ZLJSSNOMMAMTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-5-6-12(2,10-13-7-8-18-4)9-11-14-16-17(3)15-11/h13H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107053165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).