N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine

C10H21N5O — CID 62762419

IUPACN-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCOCCC(C)C
InChIInChI=1S/C10H21N5O/c1-9(2)4-6-16-7-5-15-10(8-11-3)12-13-14-15/h9,11H,4-8H2,1-3H3
InChIKeyBFGBBPWZAPFLKZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.46
Rot. Bonds8

About N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine

N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine (PubChem CID 62762419) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
PubChem CID62762419
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC NameN-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCOCCC(C)C
InChIInChI=1S/C10H21N5O/c1-9(2)4-6-16-7-5-15-10(8-11-3)12-13-14-15/h9,11H,4-8H2,1-3H3
InChIKeyBFGBBPWZAPFLKZ-UHFFFAOYSA-N
XLogP0.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.46
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-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine (CID 62762419) is N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine is CNCc1nnnn1CCOCCC(C)C.
What is the InChIKey of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine?
The InChIKey is BFGBBPWZAPFLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-9(2)4-6-16-7-5-15-10(8-11-3)12-13-14-15/h9,11H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine?
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine is sourced from PubChem (CID 62762419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).