(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide

C17H25BrN2O2 — CID 90660374

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide
SMILESBr.[H]/N=c1\ccccn1CC(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H24N2O2.BrH/c1-16(2)12-7-8-17(16,3)13(10-12)21-15(20)11-19-9-5-4-6-14(19)18;/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3;1H/b18-14+;
InChIKeyCRABNBFTJYVUCM-LSJACRKWSA-N
MW369.30 g/mol
LogP3.30
Rot. Bonds3

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide (PubChem CID 90660374) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide
PubChem CID90660374
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide
SMILESBr.[H]/N=c1\ccccn1CC(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H24N2O2.BrH/c1-16(2)12-7-8-17(16,3)13(10-12)21-15(20)11-19-9-5-4-6-14(19)18;/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3;1H/b18-14+;
InChIKeyCRABNBFTJYVUCM-LSJACRKWSA-N
XLogP3.30
TPSA55.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide (CID 90660374) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide is Br.[H]/N=c1\ccccn1CC(=O)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide?
The InChIKey is CRABNBFTJYVUCM-LSJACRKWSA-N. The full InChI is InChI=1S/C17H24N2O2.BrH/c1-16(2)12-7-8-17(16,3)13(10-12)21-15(20)11-19-9-5-4-6-14(19)18;/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3;1H/b18-14+;.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide has a molecular weight of 369.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-(2-imino-1-pyridinyl)acetate;hydrobromide is sourced from PubChem (CID 90660374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).