2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine

C10H17N3 — CID 81014583

IUPAC2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCn1ccnc1CC1CCC1N
InChIInChI=1S/C10H17N3/c1-2-13-6-5-12-10(13)7-8-3-4-9(8)11/h5-6,8-9H,2-4,7,11H2,1H3
InChIKeyNNTMCUNOCYMRIT-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.18
Rot. Bonds3

About 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine

2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 81014583) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
PubChem CID81014583
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
SMILESCCn1ccnc1CC1CCC1N
InChIInChI=1S/C10H17N3/c1-2-13-6-5-12-10(13)7-8-3-4-9(8)11/h5-6,8-9H,2-4,7,11H2,1H3
InChIKeyNNTMCUNOCYMRIT-UHFFFAOYSA-N
XLogP1.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 114510622
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81025168
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
CID 106780433
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine (CID 81014583) is 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine is CCn1ccnc1CC1CCC1N.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is NNTMCUNOCYMRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-13-6-5-12-10(13)7-8-3-4-9(8)11/h5-6,8-9H,2-4,7,11H2,1H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine?
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81014583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).