(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine

C14H27NO2 — CID 116768060

IUPAC(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
SMILESCCOC1(C(N)C2CCOC2)CCCC(C)C1
InChIInChI=1S/C14H27NO2/c1-3-17-14(7-4-5-11(2)9-14)13(15)12-6-8-16-10-12/h11-13H,3-10,15H2,1-2H3
InChIKeyBALGBRWEHAUWIT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.34
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine

(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine (PubChem CID 116768060) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
PubChem CID116768060
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
SMILESCCOC1(C(N)C2CCOC2)CCCC(C)C1
InChIInChI=1S/C14H27NO2/c1-3-17-14(7-4-5-11(2)9-14)13(15)12-6-8-16-10-12/h11-13H,3-10,15H2,1-2H3
InChIKeyBALGBRWEHAUWIT-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
N-[(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 116768503
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine (CID 116768060) is (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine is CCOC1(C(N)C2CCOC2)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine?
The InChIKey is BALGBRWEHAUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-17-14(7-4-5-11(2)9-14)13(15)12-6-8-16-10-12/h11-13H,3-10,15H2,1-2H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine?
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 116768060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).