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

C17H27N3 — CID 90644921

IUPAC7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide
SMILES[H]/N=C(\N)N1CC23CC4(C)C(C)(C2)C2(C)CC3(C1)CC42C
InChIInChI=1S/C17H27N3/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)
InChIKeyFOBQGDGHXQVYIG-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.81
Rot. Bonds

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

7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide (PubChem CID 90644921) has the molecular formula C17H27N3 and a molecular weight of 273.42 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.

Molecular Properties

Compound Name7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide
PubChem CID90644921
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide
SMILES[H]/N=C(\N)N1CC23CC4(C)C(C)(C2)C2(C)CC3(C1)CC42C
InChIInChI=1S/C17H27N3/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)
InChIKeyFOBQGDGHXQVYIG-UHFFFAOYSA-N
XLogP2.81
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.81
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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Related Compounds

7,8,9,10-Tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide;hydrochloride
CID 90644920
(1R,2R,3S,4S,5R,6S,9R,10S,11S,12S,16R,17R)-14-azaheptacyclo[8.6.1.02,5.03,11.04,9.06,17.012,16]heptadecane-14-carboximidamide
CID 118733690
(1R,2S,3S,4S,5S,6S,9R,10S,11S,12S,16R,17R)-14-azaheptacyclo[8.6.1.02,5.03,11.04,9.06,17.012,16]heptadecane-14-carboximidamide
CID 172027439
14-Azaheptacyclo[8.6.1.02,5.03,11.04,9.06,17.012,16]heptadecane-14-carboximidamide
CID 118988018

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?
The IUPAC name of 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide (CID 90644921) is 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide.
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?
The canonical SMILES for 7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide is [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?
The InChIKey is FOBQGDGHXQVYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/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).
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?
7,8,9,10-tetramethyl-3-azapentacyclo[7.2.1.15,8.01,5.07,10]tridecane-3-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 2.81, 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 is sourced from PubChem (CID 90644921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).