3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide

C8H17N7 — CID 63152175

IUPAC3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1nnnn1C
InChIInChI=1S/C8H17N7/c1-4-15(5-6(2)7(9)10)8-11-12-13-14(8)3/h6H,4-5H2,1-3H3,(H3,9,10)
InChIKeyBOSRDQYJGGTKMB-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.39
Rot. Bonds5

About 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide

3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide (PubChem CID 63152175) has the molecular formula C8H17N7 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide
PubChem CID63152175
Molecular FormulaC8H17N7
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1nnnn1C
InChIInChI=1S/C8H17N7/c1-4-15(5-6(2)7(9)10)8-11-12-13-14(8)3/h6H,4-5H2,1-3H3,(H3,9,10)
InChIKeyBOSRDQYJGGTKMB-UHFFFAOYSA-N
XLogP-0.39
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-Methylpropyl)tetrazol-1-yl]propan-1-amine
CID 61372958
3-(5-Propan-2-yltetrazol-1-yl)propan-1-amine
CID 61372960
3-[5-[2-(Diethylamino)ethyl]tetrazol-1-yl]propan-1-amine
CID 61375594
N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine
CID 63150103
N'-ethyl-2-methyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152170
N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152171
3-[Methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
CID 63152174
N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152217
3-[Ethyl-(1-methyltetrazol-5-yl)amino]propanimidamide
CID 63152221
2-Methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanimidamide
CID 63152222
3-[(1-Methyltetrazol-5-yl)-propan-2-ylamino]propanimidamide
CID 63152223
3-[Cyclopropyl-(1-methyltetrazol-5-yl)amino]propanimidamide
CID 63152224

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide (CID 63152175) is 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)c1nnnn1C.
What is the InChIKey of 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide?
The InChIKey is BOSRDQYJGGTKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N7/c1-4-15(5-6(2)7(9)10)8-11-12-13-14(8)3/h6H,4-5H2,1-3H3,(H3,9,10).
What are the key properties of 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide?
3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide has a molecular weight of 211.27 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(1-methyltetrazol-5-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 63152175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).