N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine

C15H25N3 — CID 114283528

IUPACN-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc(C)n1C)C1CC2CC2C1
InChIInChI=1S/C15H25N3/c1-4-5-16-15(13-7-11-6-12(11)8-13)14-9-17-10(2)18(14)3/h9,11-13,15-16H,4-8H2,1-3H3
InChIKeyMHLKNZDBFUZMRL-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds5

About N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine

N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 114283528) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine
PubChem CID114283528
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc(C)n1C)C1CC2CC2C1
InChIInChI=1S/C15H25N3/c1-4-5-16-15(13-7-11-6-12(11)8-13)14-9-17-10(2)18(14)3/h9,11-13,15-16H,4-8H2,1-3H3
InChIKeyMHLKNZDBFUZMRL-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethylimidazol-4-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114283409
N-[3-bicyclo[3.1.0]hexanyl-(4-chloro-1-ethylpyrazol-5-yl)methyl]propan-1-amine
CID 105040488
[(2,3-dimethylimidazol-4-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 114283593
1-(2,3-dimethylimidazol-4-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114283408
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
N-[(2,3-dimethylimidazol-4-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 114283544
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 65200078
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(3,5-dimethylcyclohexyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107975657
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine (CID 114283528) is N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnc(C)n1C)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is MHLKNZDBFUZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-5-16-15(13-7-11-6-12(11)8-13)14-9-17-10(2)18(14)3/h9,11-13,15-16H,4-8H2,1-3H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine?
N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(2,3-dimethylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114283528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).