(1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

C20H33N3 — CID 127040888

IUPAC(1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESC[C@@H]1[C@H]2C[C@@H](C[C@H]1NCc1cnc(C3CCCCC3)[nH]1)C2(C)C
InChIInChI=1S/C20H33N3/c1-13-17-9-15(20(17,2)3)10-18(13)21-11-16-12-22-19(23-16)14-7-5-4-6-8-14/h12-15,17-18,21H,4-11H2,1-3H3,(H,22,23)/t13-,15+,17-,18-/m1/s1
InChIKeyYDRZPJABUDKMCX-AETAKHFUSA-N
MW315.51 g/mol
LogP4.62
Rot. Bonds4

About (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

(1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 127040888) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID127040888
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name(1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESC[C@@H]1[C@H]2C[C@@H](C[C@H]1NCc1cnc(C3CCCCC3)[nH]1)C2(C)C
InChIInChI=1S/C20H33N3/c1-13-17-9-15(20(17,2)3)10-18(13)21-11-16-12-22-19(23-16)14-7-5-4-6-8-14/h12-15,17-18,21H,4-11H2,1-3H3,(H,22,23)/t13-,15+,17-,18-/m1/s1
InChIKeyYDRZPJABUDKMCX-AETAKHFUSA-N
XLogP4.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-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 (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (CID 127040888) is (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is C[C@@H]1[C@H]2C[C@@H](C[C@H]1NCc1cnc(C3CCCCC3)[nH]1)C2(C)C.
What is the InChIKey of (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is YDRZPJABUDKMCX-AETAKHFUSA-N. The full InChI is InChI=1S/C20H33N3/c1-13-17-9-15(20(17,2)3)10-18(13)21-11-16-12-22-19(23-16)14-7-5-4-6-8-14/h12-15,17-18,21H,4-11H2,1-3H3,(H,22,23)/t13-,15+,17-,18-/m1/s1.
What are the key properties of (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
(1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine has a molecular weight of 315.51 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-N-[(2-cyclohexyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 127040888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).