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

C15H25N3 — CID 127041193

IUPAC(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCc1ncc(CN[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)[nH]1
InChIInChI=1S/C15H25N3/c1-9-13-5-11(15(13,3)4)6-14(9)17-8-12-7-16-10(2)18-12/h7,9,11,13-14,17H,5-6,8H2,1-4H3,(H,16,18)/t9-,11+,13-,14-/m1/s1
InChIKeyUPHLJVIJUKACGM-QEGRKFQGSA-N
MW247.39 g/mol
LogP2.88
Rot. Bonds3

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

(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine (PubChem CID 127041193) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
PubChem CID127041193
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCc1ncc(CN[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)[nH]1
InChIInChI=1S/C15H25N3/c1-9-13-5-11(15(13,3)4)6-14(9)17-8-12-7-16-10(2)18-12/h7,9,11,13-14,17H,5-6,8H2,1-4H3,(H,16,18)/t9-,11+,13-,14-/m1/s1
InChIKeyUPHLJVIJUKACGM-QEGRKFQGSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[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

Related Compounds

2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine
CID 130966817
(1R,2R,3R,5R)-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 71569282
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 63278046
4-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]oxolan-3-amine
CID 164662333
(1R,2R,3R,5R)-2,6,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 71569286
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 114544080
N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentanamine
CID 62741574
N-[(2-methyl-1H-imidazol-5-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 62741990
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 123762317
(1S,2S,3S,5R)-N-[(3-chlorophenyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 155105315
(1S,2S,3S,5R)-N-[(2,5-difluorophenyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 142577384
(1S,2S,3S,5R)-2,6,6-trimethyl-N-(3-phenylpropyl)bicyclo[3.1.1]heptan-3-amine
CID 141314175

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine (CID 127041193) is (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine is Cc1ncc(CN[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)[nH]1.
What is the InChIKey of (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The InChIKey is UPHLJVIJUKACGM-QEGRKFQGSA-N. The full InChI is InChI=1S/C15H25N3/c1-9-13-5-11(15(13,3)4)6-14(9)17-8-12-7-16-10(2)18-12/h7,9,11,13-14,17H,5-6,8H2,1-4H3,(H,16,18)/t9-,11+,13-,14-/m1/s1.
What are the key properties of (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 127041193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).