N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine

C13H27N5 — CID 103086259

IUPACN-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCCCCCCn1nnnc1C(C)NCC(C)C
InChIInChI=1S/C13H27N5/c1-5-6-7-8-9-18-13(15-16-17-18)12(4)14-10-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyVYVBLOXCGGMZGW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.56
Rot. Bonds9

About N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine

N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 103086259) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
PubChem CID103086259
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC NameN-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCCCCCCn1nnnc1C(C)NCC(C)C
InChIInChI=1S/C13H27N5/c1-5-6-7-8-9-18-13(15-16-17-18)12(4)14-10-11(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyVYVBLOXCGGMZGW-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine 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

N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
1-pentyl-5-propan-2-yltetrazole
CID 69031680
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
5-methyl-1-octyltetrazole
CID 20685309
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
5-methyl-1-pentyltetrazole
CID 67274114

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine (CID 103086259) is N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine is CCCCCCn1nnnc1C(C)NCC(C)C.
What is the InChIKey of N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is VYVBLOXCGGMZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-5-6-7-8-9-18-13(15-16-17-18)12(4)14-10-11(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103086259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).