[1-(2-butoxyethyl)tetrazol-5-yl]methanamine

C8H17N5O — CID 62763678

IUPAC[1-(2-butoxyethyl)tetrazol-5-yl]methanamine
SMILESCCCCOCCn1nnnc1CN
InChIInChI=1S/C8H17N5O/c1-2-3-5-14-6-4-13-8(7-9)10-11-12-13/h2-7,9H2,1H3
InChIKeyGDVPMLZLEDSDDK-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.05
Rot. Bonds7

About [1-(2-butoxyethyl)tetrazol-5-yl]methanamine

[1-(2-butoxyethyl)tetrazol-5-yl]methanamine (PubChem CID 62763678) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is [1-(2-butoxyethyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-butoxyethyl)tetrazol-5-yl]methanamine
PubChem CID62763678
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name[1-(2-butoxyethyl)tetrazol-5-yl]methanamine
SMILESCCCCOCCn1nnnc1CN
InChIInChI=1S/C8H17N5O/c1-2-3-5-14-6-4-13-8(7-9)10-11-12-13/h2-7,9H2,1H3
InChIKeyGDVPMLZLEDSDDK-UHFFFAOYSA-N
XLogP-0.05
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(2-butoxyethyl)tetrazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-butoxyethyl)tetrazol-5-amine
CID 79507098
(1-propyltetrazol-5-yl)methanamine
CID 62736890
N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62761177
1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
CID 103084495
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
1-butyl-5-propyltetrazole
CID 69032145
[1-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518468
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415
3-[1-(2-methoxyethyl)tetrazol-5-yl]propan-1-amine
CID 82228414
[1-(3-methylsulfonylpropyl)tetrazol-5-yl]methanamine
CID 62762227
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537
[1-(2-methylpropyl)tetrazol-5-yl]methanamine
CID 62736877

Frequently Asked Questions

What is the IUPAC name of [1-(2-butoxyethyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(2-butoxyethyl)tetrazol-5-yl]methanamine (CID 62763678) is [1-(2-butoxyethyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2-butoxyethyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(2-butoxyethyl)tetrazol-5-yl]methanamine is CCCCOCCn1nnnc1CN.
What is the InChIKey of [1-(2-butoxyethyl)tetrazol-5-yl]methanamine?
The InChIKey is GDVPMLZLEDSDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-2-3-5-14-6-4-13-8(7-9)10-11-12-13/h2-7,9H2,1H3.
What are the key properties of [1-(2-butoxyethyl)tetrazol-5-yl]methanamine?
[1-(2-butoxyethyl)tetrazol-5-yl]methanamine has a molecular weight of 199.26 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butoxyethyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62763678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).