N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine

C12H23N — CID 15226436

IUPACN-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine
SMILESCCNC12CCC(C1)C(C)(C)C2C
InChIInChI=1S/C12H23N/c1-5-13-12-7-6-10(8-12)11(3,4)9(12)2/h9-10,13H,5-8H2,1-4H3
InChIKeyPRVCHTDWLLFMFL-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds2

About N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine

N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine (PubChem CID 15226436) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine
PubChem CID15226436
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine
SMILESCCNC12CCC(C1)C(C)(C)C2C
InChIInChI=1S/C12H23N/c1-5-13-12-7-6-10(8-12)11(3,4)9(12)2/h9-10,13H,5-8H2,1-4H3
InChIKeyPRVCHTDWLLFMFL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine?
The IUPAC name of N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine (CID 15226436) is N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine is CCNC12CCC(C1)C(C)(C)C2C.
What is the InChIKey of N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine?
The InChIKey is PRVCHTDWLLFMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-13-12-7-6-10(8-12)11(3,4)9(12)2/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine?
N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,3-trimethylbicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 15226436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).