N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

C9H19N5O — CID 107053209

IUPACN-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCOCCNCC(C)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-8(7-10-4-5-15-3)6-9-11-13-14(2)12-9/h8,10H,4-7H2,1-3H3
InChIKeyBOPNMSXXTLAQQY-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.38
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine

N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (PubChem CID 107053209) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
PubChem CID107053209
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
SMILESCOCCNCC(C)Cc1nnn(C)n1
InChIInChI=1S/C9H19N5O/c1-8(7-10-4-5-15-3)6-9-11-13-14(2)12-9/h8,10H,4-7H2,1-3H3
InChIKeyBOPNMSXXTLAQQY-UHFFFAOYSA-N
XLogP-0.38
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.38
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-3-(2-methyltetrazol-5-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine (CID 107053209) is N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine is COCCNCC(C)Cc1nnn(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
The InChIKey is BOPNMSXXTLAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-8(7-10-4-5-15-3)6-9-11-13-14(2)12-9/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine?
N-(2-methoxyethyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of -0.38, 7 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-3-(2-methyltetrazol-5-yl)propan-1-amine is sourced from PubChem (CID 107053209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).