N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C17H31NO — CID 43781104

IUPACN-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOC1CCCCC1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H31NO/c1-16(2)12-9-10-17(16,3)15(11-12)18-13-7-5-6-8-14(13)19-4/h12-15,18H,5-11H2,1-4H3
InChIKeyZICOOCNERDMJRU-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds3

About N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 43781104) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID43781104
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCOC1CCCCC1NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H31NO/c1-16(2)12-9-10-17(16,3)15(11-12)18-13-7-5-6-8-14(13)19-4/h12-15,18H,5-11H2,1-4H3
InChIKeyZICOOCNERDMJRU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 43781104) is N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is COC1CCCCC1NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZICOOCNERDMJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-16(2)12-9-10-17(16,3)15(11-12)18-13-7-5-6-8-14(13)19-4/h12-15,18H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).