N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

C13H24N2O2 — CID 102547257

IUPACN-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCCN)(CC1O)C2(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)12(3)4-5-13(11,8-9(12)16)10(17)15-7-6-14/h9,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyHEOCXWRPQFJCSP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.64
Rot. Bonds3

About N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 102547257) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID102547257
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCCN)(CC1O)C2(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)12(3)4-5-13(11,8-9(12)16)10(17)15-7-6-14/h9,16H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyHEOCXWRPQFJCSP-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 102547257) is N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NCCN)(CC1O)C2(C)C.
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is HEOCXWRPQFJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)12(3)4-5-13(11,8-9(12)16)10(17)15-7-6-14/h9,16H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 102547257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).