7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride

C17H28ClN3 — CID 90644920

IUPAC7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC23CC4(C)C(C)(C2)C2(C)CC3(C1)CC42C
InChIInChI=1S/C17H27N3.ClH/c1-12-5-16-6-13(12,2)15(4)8-17(16,7-14(12,15)3)10-20(9-16)11(18)19;/h5-10H2,1-4H3,(H3,18,19);1H
InChIKeyJQEINJUYBJMTDJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.23
Rot. Bonds

About 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride

7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride (PubChem CID 90644920) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride
PubChem CID90644920
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CC23CC4(C)C(C)(C2)C2(C)CC3(C1)CC42C
InChIInChI=1S/C17H27N3.ClH/c1-12-5-16-6-13(12,2)15(4)8-17(16,7-14(12,15)3)10-20(9-16)11(18)19;/h5-10H2,1-4H3,(H3,18,19);1H
InChIKeyJQEINJUYBJMTDJ-UHFFFAOYSA-N
XLogP3.23
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride?
The IUPAC name of 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride (CID 90644920) is 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride.
What is the SMILES notation for 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride?
The canonical SMILES for 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CC23CC4(C)C(C)(C2)C2(C)CC3(C1)CC42C.
What is the InChIKey of 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride?
The InChIKey is JQEINJUYBJMTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.ClH/c1-12-5-16-6-13(12,2)15(4)8-17(16,7-14(12,15)3)10-20(9-16)11(18)19;/h5-10H2,1-4H3,(H3,18,19);1H.
What are the key properties of 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride?
7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 3.23, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride is sourced from PubChem (CID 90644920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).