(1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

C20H33N3 — CID 127041949

IUPAC(1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESCCCc1nc(C2CC2)[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C20H33N3/c1-5-6-16-18(23-19(22-16)13-7-8-13)11-21-17-10-14-9-15(12(17)2)20(14,3)4/h12-15,17,21H,5-11H2,1-4H3,(H,22,23)/t12-,14+,15-,17-/m1/s1
InChIKeyWMVSRWMPZWNXDZ-DUFGSWQCSA-N
MW315.51 g/mol
LogP4.40
Rot. Bonds6

About (1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine

(1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (PubChem CID 127041949) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is (1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-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-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
PubChem CID127041949
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name(1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
SMILESCCCc1nc(C2CC2)[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C20H33N3/c1-5-6-16-18(23-19(22-16)13-7-8-13)11-21-17-10-14-9-15(12(17)2)20(14,3)4/h12-15,17,21H,5-11H2,1-4H3,(H,22,23)/t12-,14+,15-,17-/m1/s1
InChIKeyWMVSRWMPZWNXDZ-DUFGSWQCSA-N
XLogP4.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-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-cyclopropyl-4-propyl-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-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine (CID 127041949) is (1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-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-cyclopropyl-4-propyl-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-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is CCCc1nc(C2CC2)[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C.
What is the InChIKey of (1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
The InChIKey is WMVSRWMPZWNXDZ-DUFGSWQCSA-N. The full InChI is InChI=1S/C20H33N3/c1-5-6-16-18(23-19(22-16)13-7-8-13)11-21-17-10-14-9-15(12(17)2)20(14,3)4/h12-15,17,21H,5-11H2,1-4H3,(H,22,23)/t12-,14+,15-,17-/m1/s1.
What are the key properties of (1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine?
(1R,2R,3R,5S)-N-[(2-cyclopropyl-4-propyl-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 4.40, 6 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-cyclopropyl-4-propyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 127041949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).