1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

C13H23N3 — CID 107004749

IUPAC1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)C1CC1(C)C
InChIInChI=1S/C13H23N3/c1-5-14-11(10-9-13(10,2)3)8-12-15-6-7-16(12)4/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyMNXAERCYRYGYFO-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.99
Rot. Bonds5

About 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine

1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 107004749) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID107004749
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1nccn1C)C1CC1(C)C
InChIInChI=1S/C13H23N3/c1-5-14-11(10-9-13(10,2)3)8-12-15-6-7-16(12)4/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyMNXAERCYRYGYFO-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 107004877
[1-(2,2-dimethylcyclopentyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 107194392
1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107189965
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751721
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105167288
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine (CID 107004749) is 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is CCNC(Cc1nccn1C)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is MNXAERCYRYGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-14-11(10-9-13(10,2)3)8-12-15-6-7-16(12)4/h6-7,10-11,14H,5,8-9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine?
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 107004749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).