2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

C16H29N3O — CID 116769124

IUPAC2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCn1ccnc1CC(N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-19-11-10-18-14(19)12-13(17)16(20-4)8-6-15(2,3)7-9-16/h10-11,13H,5-9,12,17H2,1-4H3
InChIKeyUCYRJPFLVDGDQE-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.76
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine

2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116769124) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116769124
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCn1ccnc1CC(N)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-19-11-10-18-14(19)12-13(17)16(20-4)8-6-15(2,3)7-9-16/h10-11,13H,5-9,12,17H2,1-4H3
InChIKeyUCYRJPFLVDGDQE-UHFFFAOYSA-N
XLogP2.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116769075
[2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclopentyl)ethyl]hydrazine
CID 105268880
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 107004731
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831292
(1-ethylimidazol-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753476
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
CID 79761126
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116769124) is 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is CCn1ccnc1CC(N)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is UCYRJPFLVDGDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-19-11-10-18-14(19)12-13(17)16(20-4)8-6-15(2,3)7-9-16/h10-11,13H,5-9,12,17H2,1-4H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine?
2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116769124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).