1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C16H28N2O2 — CID 114529884

IUPAC1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCCOC1(C(O)CCc2nccn2C)CCCCCC1
InChIInChI=1S/C16H28N2O2/c1-3-20-16(10-6-4-5-7-11-16)14(19)8-9-15-17-12-13-18(15)2/h12-14,19H,3-11H2,1-2H3
InChIKeyRJWYHEGKCJFCRC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.84
Rot. Bonds6

About 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529884) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529884
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCCOC1(C(O)CCc2nccn2C)CCCCCC1
InChIInChI=1S/C16H28N2O2/c1-3-20-16(10-6-4-5-7-11-16)14(19)8-9-15-17-12-13-18(15)2/h12-14,19H,3-11H2,1-2H3
InChIKeyRJWYHEGKCJFCRC-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529797
3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
CID 114529819
[1-(1-methoxycyclobutyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105270412
1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530787
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
CID 116756208
1-(1-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529718
N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 116770958
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 114530454

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529884) is 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol is CCOC1(C(O)CCc2nccn2C)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is RJWYHEGKCJFCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-20-16(10-6-4-5-7-11-16)14(19)8-9-15-17-12-13-18(15)2/h12-14,19H,3-11H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).