2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine

C11H19N3 — CID 130966817

IUPAC2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1ncc(CNC2CC(C)C2C)[nH]1
InChIInChI=1S/C11H19N3/c1-7-4-11(8(7)2)13-6-10-5-12-9(3)14-10/h5,7-8,11,13H,4,6H2,1-3H3,(H,12,14)
InChIKeyWOGJHFDNXFVMEY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.85
Rot. Bonds3

About 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine

2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 130966817) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID130966817
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine
SMILESCc1ncc(CNC2CC(C)C2C)[nH]1
InChIInChI=1S/C11H19N3/c1-7-4-11(8(7)2)13-6-10-5-12-9(3)14-10/h5,7-8,11,13H,4,6H2,1-3H3,(H,12,14)
InChIKeyWOGJHFDNXFVMEY-UHFFFAOYSA-N
XLogP1.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3R,5S)-2,6,6-trimethyl-N-[[2-(2-methylpropyl)-1H-imidazol-5-yl]methyl]bicyclo[3.1.1]heptan-3-amine
CID 127040587
(1R,2R,3R,5S)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041194
(1R,2R,3R,5S)-N-[(2-tert-butyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127041196
4-Methyl-2-pentadecyl-1H-imidazole
CID 116269
2-Heptadecyl-5-methyl-1H-imidazole
CID 19737075
2-(2-cyclohexyl-1H-imidazol-5-yl)ethanamine
CID 11074267
2-(2-Cyclopentyl-1H-imidazol-4-yl)ethanamine
CID 44292446
2-(2-cyclobutyl-1H-imidazol-5-yl)ethanamine
CID 44292492
1-(Cyclopropylmethyl)-4-(1H-imidazol-4-ylmethyl)-2-isopropyl-1,4-diazepane
CID 56872195
(1R,2R,3R,5S)-2,6,6-trimethyl-N-[(2-propan-2-yl-1H-imidazol-5-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 127038552
(1R,2R,3R,5S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127040886
(1R,2R,3R,5S)-N-[(2-cyclopentyl-1H-imidazol-5-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 127040887

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine (CID 130966817) is 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine is Cc1ncc(CNC2CC(C)C2C)[nH]1.
What is the InChIKey of 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is WOGJHFDNXFVMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7-4-11(8(7)2)13-6-10-5-12-9(3)14-10/h5,7-8,11,13H,4,6H2,1-3H3,(H,12,14).
What are the key properties of 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine?
2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 130966817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).