N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride

C8H18ClN5 — CID 3031909

IUPACN-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1C(CC)CC.Cl
InChIInChI=1S/C8H17N5.ClH/c1-4-7(5-2)13-8(9-6-3)10-11-12-13;/h7H,4-6H2,1-3H3,(H,9,10,12);1H
InChIKeyYVKPASNULGBKCI-UHFFFAOYSA-N
MW219.72 g/mol
LogP1.89
Rot. Bonds5

About N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride

N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride (PubChem CID 3031909) has the molecular formula C8H18ClN5 and a molecular weight of 219.72 g/mol. Its IUPAC name is N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride
PubChem CID3031909
Molecular FormulaC8H18ClN5
Molecular Weight219.72 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride
SMILESCCNc1nnnn1C(CC)CC.Cl
InChIInChI=1S/C8H17N5.ClH/c1-4-7(5-2)13-8(9-6-3)10-11-12-13;/h7H,4-6H2,1-3H3,(H,9,10,12);1H
InChIKeyYVKPASNULGBKCI-UHFFFAOYSA-N
XLogP1.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride?
The IUPAC name of N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride (CID 3031909) is N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride is CCNc1nnnn1C(CC)CC.Cl.
What is the InChIKey of N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride?
The InChIKey is YVKPASNULGBKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5.ClH/c1-4-7(5-2)13-8(9-6-3)10-11-12-13;/h7H,4-6H2,1-3H3,(H,9,10,12);1H.
What are the key properties of N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride?
N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pentan-3-yltetrazol-5-amine;hydrochloride is sourced from PubChem (CID 3031909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).