1-(1-hexyltetrazol-5-yl)-N-methylethanamine

C10H21N5 — CID 103086260

IUPAC1-(1-hexyltetrazol-5-yl)-N-methylethanamine
SMILESCCCCCCn1nnnc1C(C)NC
InChIInChI=1S/C10H21N5/c1-4-5-6-7-8-15-10(9(2)11-3)12-13-14-15/h9,11H,4-8H2,1-3H3
InChIKeyWHVQQFYTQFYIGK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.53
Rot. Bonds7

About 1-(1-hexyltetrazol-5-yl)-N-methylethanamine

1-(1-hexyltetrazol-5-yl)-N-methylethanamine (PubChem CID 103086260) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(1-hexyltetrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-hexyltetrazol-5-yl)-N-methylethanamine
PubChem CID103086260
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1-(1-hexyltetrazol-5-yl)-N-methylethanamine
SMILESCCCCCCn1nnnc1C(C)NC
InChIInChI=1S/C10H21N5/c1-4-5-6-7-8-15-10(9(2)11-3)12-13-14-15/h9,11H,4-8H2,1-3H3
InChIKeyWHVQQFYTQFYIGK-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
1-pentyl-5-propan-2-yltetrazole
CID 69031680
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
CID 103086706
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
CID 103086701
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
1-[1-(3-cyclopropylpropyl)tetrazol-5-yl]-N-methylethanamine
CID 103087035
5-methyl-1-octyltetrazole
CID 20685309
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
5-methyl-1-pentyltetrazole
CID 67274114
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230

Frequently Asked Questions

What is the IUPAC name of 1-(1-hexyltetrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(1-hexyltetrazol-5-yl)-N-methylethanamine (CID 103086260) is 1-(1-hexyltetrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-hexyltetrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-hexyltetrazol-5-yl)-N-methylethanamine is CCCCCCn1nnnc1C(C)NC.
What is the InChIKey of 1-(1-hexyltetrazol-5-yl)-N-methylethanamine?
The InChIKey is WHVQQFYTQFYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-4-5-6-7-8-15-10(9(2)11-3)12-13-14-15/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-(1-hexyltetrazol-5-yl)-N-methylethanamine?
1-(1-hexyltetrazol-5-yl)-N-methylethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexyltetrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 103086260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).