1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine

C17H33NO2 — CID 116768621

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCOC1(C(N)CCC2CCCO2)CCC(C)(C)CC1
InChIInChI=1S/C17H33NO2/c1-4-20-17(11-9-16(2,3)10-12-17)15(18)8-7-14-6-5-13-19-14/h14-15H,4-13,18H2,1-3H3
InChIKeyNBUTXZCCKPSCAR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.65
Rot. Bonds6

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 116768621) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID116768621
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCOC1(C(N)CCC2CCCO2)CCC(C)(C)CC1
InChIInChI=1S/C17H33NO2/c1-4-20-17(11-9-16(2,3)10-12-17)15(18)8-7-14-6-5-13-19-14/h14-15H,4-13,18H2,1-3H3
InChIKeyNBUTXZCCKPSCAR-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
CID 116768623
1-(1-ethoxycyclopentyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 116761965
1-(1-ethylcyclopentyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993713
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
[1-(1-ethoxycycloheptyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105278474
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine (CID 116768621) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine is CCOC1(C(N)CCC2CCCO2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is NBUTXZCCKPSCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-20-17(11-9-16(2,3)10-12-17)15(18)8-7-14-6-5-13-19-14/h14-15H,4-13,18H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 116768621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).