N-ethyl-1-heptyltetrazol-5-amine;hydrochloride

C10H22ClN5 — CID 3031911

IUPACN-ethyl-1-heptyltetrazol-5-amine;hydrochloride
SMILESCCCCCCCn1nnnc1NCC.Cl
InChIInChI=1S/C10H21N5.ClH/c1-3-5-6-7-8-9-15-10(11-4-2)12-13-14-15;/h3-9H2,1-2H3,(H,11,12,14);1H
InChIKeyDKEOVPVHUKCXMK-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.50
Rot. Bonds8

About N-ethyl-1-heptyltetrazol-5-amine;hydrochloride

N-ethyl-1-heptyltetrazol-5-amine;hydrochloride (PubChem CID 3031911) has the molecular formula C10H22ClN5 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-ethyl-1-heptyltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-heptyltetrazol-5-amine;hydrochloride
PubChem CID3031911
Molecular FormulaC10H22ClN5
Molecular Weight247.77 g/mol
Exact Mass247.16
IUPAC NameN-ethyl-1-heptyltetrazol-5-amine;hydrochloride
SMILESCCCCCCCn1nnnc1NCC.Cl
InChIInChI=1S/C10H21N5.ClH/c1-3-5-6-7-8-9-15-10(11-4-2)12-13-14-15;/h3-9H2,1-2H3,(H,11,12,14);1H
InChIKeyDKEOVPVHUKCXMK-UHFFFAOYSA-N
XLogP2.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-heptyltetrazol-5-amine;hydrochloride?
The IUPAC name of N-ethyl-1-heptyltetrazol-5-amine;hydrochloride (CID 3031911) is N-ethyl-1-heptyltetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-heptyltetrazol-5-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-heptyltetrazol-5-amine;hydrochloride is CCCCCCCn1nnnc1NCC.Cl.
What is the InChIKey of N-ethyl-1-heptyltetrazol-5-amine;hydrochloride?
The InChIKey is DKEOVPVHUKCXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5.ClH/c1-3-5-6-7-8-9-15-10(11-4-2)12-13-14-15;/h3-9H2,1-2H3,(H,11,12,14);1H.
What are the key properties of N-ethyl-1-heptyltetrazol-5-amine;hydrochloride?
N-ethyl-1-heptyltetrazol-5-amine;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-heptyltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).