N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C17H29N3O — CID 106557746

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)C1CC2CCC1C2
InChIInChI=1S/C17H29N3O/c1-11-9-20(12(2)10-21-4)17(18-11)19-13(3)16-8-14-5-6-15(16)7-14/h9,12-16H,5-8,10H2,1-4H3,(H,18,19)
InChIKeySCFRBSFIDFPSSX-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.64
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106557746) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106557746
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NC(C)C1CC2CCC1C2
InChIInChI=1S/C17H29N3O/c1-11-9-20(12(2)10-21-4)17(18-11)19-13(3)16-8-14-5-6-15(16)7-14/h9,12-16H,5-8,10H2,1-4H3,(H,18,19)
InChIKeySCFRBSFIDFPSSX-UHFFFAOYSA-N
XLogP3.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N-(1-cyclohexylpropyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106571299
N-(3,4-dimethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574577
N-(4-ethylcyclohexyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106564307
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106557756
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
1-(1-methoxypropan-2-yl)-4-methyl-N-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568507
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285213

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106557746) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is SCFRBSFIDFPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11-9-20(12(2)10-21-4)17(18-11)19-13(3)16-8-14-5-6-15(16)7-14/h9,12-16H,5-8,10H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106557746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).