1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine

C16H29N3 — CID 79751471

IUPAC1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)C1CCCCC1
InChIInChI=1S/C16H29N3/c1-3-11-19-12-10-18-16(19)13-15(17-4-2)14-8-6-5-7-9-14/h10,12,14-15,17H,3-9,11,13H2,1-2H3
InChIKeyONMMUIBHBNBLOL-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.39
Rot. Bonds7

About 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine

1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 79751471) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID79751471
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(NCC)C1CCCCC1
InChIInChI=1S/C16H29N3/c1-3-11-19-12-10-18-16(19)13-15(17-4-2)14-8-6-5-7-9-14/h10,12,14-15,17H,3-9,11,13H2,1-2H3
InChIKeyONMMUIBHBNBLOL-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
4-cyclohexyl-N-ethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012509
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012402
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
N-methyl-1-(oxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761761
1-cyclopropyl-N-ethyl-1-methoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 116722542
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine (CID 79751471) is 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(NCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is ONMMUIBHBNBLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-11-19-12-10-18-16(19)13-15(17-4-2)14-8-6-5-7-9-14/h10,12,14-15,17H,3-9,11,13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine?
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 79751471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).