1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine

C12H21N3 — CID 107004731

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)C1CC1(C)C
InChIInChI=1S/C12H21N3/c1-4-15-6-5-14-11(15)7-10(13)9-8-12(9,2)3/h5-6,9-10H,4,7-8,13H2,1-3H3
InChIKeyLCWPPDCMMCLPAH-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.82
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine

1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 107004731) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
PubChem CID107004731
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
SMILESCCn1ccnc1CC(N)C1CC1(C)C
InChIInChI=1S/C12H21N3/c1-4-15-6-5-14-11(15)7-10(13)9-8-12(9,2)3/h5-6,9-10H,4,7-8,13H2,1-3H3
InChIKeyLCWPPDCMMCLPAH-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
CID 79761126
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189998
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
2-(1-ethylimidazol-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105009554
2-(1-ethylimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105009551
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 79760621
2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769124
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine (CID 107004731) is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine is CCn1ccnc1CC(N)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is LCWPPDCMMCLPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15-6-5-14-11(15)7-10(13)9-8-12(9,2)3/h5-6,9-10H,4,7-8,13H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine?
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 107004731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).