N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine

C12H25N5 — CID 103085937

IUPACN-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
SMILESCCCCCC(C)n1nnnc1C(C)NCC
InChIInChI=1S/C12H25N5/c1-5-7-8-9-10(3)17-12(14-15-16-17)11(4)13-6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyKMLPMNJPPJNYER-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine

N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine (PubChem CID 103085937) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
PubChem CID103085937
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine
SMILESCCCCCC(C)n1nnnc1C(C)NCC
InChIInChI=1S/C12H25N5/c1-5-7-8-9-10(3)17-12(14-15-16-17)11(4)13-6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyKMLPMNJPPJNYER-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine 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-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-ethyl-1-(1-hexan-3-yltetrazol-5-yl)ethanamine
CID 103085598
N-methyl-1-(1-pentan-2-yltetrazol-5-yl)ethanamine
CID 103085322
N-[(1-heptan-2-yltetrazol-5-yl)methyl]ethanamine
CID 62761889
N-[(1-heptan-2-yltetrazol-5-yl)methyl]cyclopropanamine
CID 62761892
N-[1-[1-(1-cyclopropylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086242
N-[1-[1-(1-methylsulfinylpropan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086942
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
N-methyl-1-[1-(4-methylhexan-2-yl)tetrazol-5-yl]ethanamine
CID 103086438
N-ethyl-1-[1-(2-methyl-1-thiophen-2-ylpropyl)tetrazol-5-yl]ethanamine
CID 103085799
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine (CID 103085937) is N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine is CCCCCC(C)n1nnnc1C(C)NCC.
What is the InChIKey of N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine?
The InChIKey is KMLPMNJPPJNYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-5-7-8-9-10(3)17-12(14-15-16-17)11(4)13-6-2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine?
N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine has a molecular weight of 239.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-heptan-2-yltetrazol-5-yl)ethanamine is sourced from PubChem (CID 103085937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).