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

C17H29N3 — CID 127041191

IUPAC(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCCCc1nc[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C17H29N3/c1-5-6-14-16(20-10-19-14)9-18-15-8-12-7-13(11(15)2)17(12,3)4/h10-13,15,18H,5-9H2,1-4H3,(H,19,20)/t11-,12+,13-,15-/m1/s1
InChIKeyFWNZXLSWUAWAJE-QVHKTLOISA-N
MW275.44 g/mol
LogP3.52
Rot. Bonds5

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

(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine (PubChem CID 127041191) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-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-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
PubChem CID127041191
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
SMILESCCCc1nc[nH]c1CN[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
InChIInChI=1S/C17H29N3/c1-5-6-14-16(20-10-19-14)9-18-15-8-12-7-13(11(15)2)17(12,3)4/h10-13,15,18H,5-9H2,1-4H3,(H,19,20)/t11-,12+,13-,15-/m1/s1
InChIKeyFWNZXLSWUAWAJE-QVHKTLOISA-N
XLogP3.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-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

(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127038896
(1R,2R,3R,5S)-N-[(4-cyclopropyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127039562
(1R,2R,3R,5S)-N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041655
(1R,2R,3R,5S)-N-[(4-ethyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127039561
(1R,2R,3R,5S)-N-[(4-tert-butyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041190
(1R,2R,3R,5S)-N-[(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041657
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-propan-2-yl-4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127041948
(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
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127041656
4-cyclohexyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 21330712
4-(2-Cyclohexylethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 22390909
2,6,6-trimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 78096011

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-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-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine (CID 127041191) is (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-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-[(4-propyl-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-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine is CCCc1nc[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)-2,6,6-trimethyl-N-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
The InChIKey is FWNZXLSWUAWAJE-QVHKTLOISA-N. The full InChI is InChI=1S/C17H29N3/c1-5-6-14-16(20-10-19-14)9-18-15-8-12-7-13(11(15)2)17(12,3)4/h10-13,15,18H,5-9H2,1-4H3,(H,19,20)/t11-,12+,13-,15-/m1/s1.
What are the key properties of (1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine?
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine has a molecular weight of 275.44 g/mol, XLogP of 3.52, 5 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-[(4-propyl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 127041191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).