N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine

C17H33NO2 — CID 116768503

IUPACN-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C17H33NO2/c1-4-10-18-16(15-8-11-19-13-15)17(20-5-2)9-6-7-14(3)12-17/h14-16,18H,4-13H2,1-3H3
InChIKeyCTIXQYFFJQTICA-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds7

About N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 116768503) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID116768503
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1(OCC)CCCC(C)C1
InChIInChI=1S/C17H33NO2/c1-4-10-18-16(15-8-11-19-13-15)17(20-5-2)9-6-7-14(3)12-17/h14-16,18H,4-13H2,1-3H3
InChIKeyCTIXQYFFJQTICA-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 116768763
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
N-[oxolan-3-yl-(1-piperidin-1-ylcyclopentyl)methyl]propan-1-amine
CID 79057766
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
N,N-dimethyl-1-[oxan-4-yl(propylamino)methyl]cyclohexan-1-amine
CID 79066378

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine (CID 116768503) is N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(C1CCOC1)C1(OCC)CCCC(C)C1.
What is the InChIKey of N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is CTIXQYFFJQTICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-10-18-16(15-8-11-19-13-15)17(20-5-2)9-6-7-14(3)12-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 116768503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).