1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine

C13H27NO2 — CID 102927868

IUPAC1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)CC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-15-9-10-16-8-7-13(14)11-12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3
InChIKeyGHPIGIQGKCTKMD-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds8

About 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine

1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102927868) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102927868
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)CC1CCCCC1
InChIInChI=1S/C13H27NO2/c1-15-9-10-16-8-7-13(14)11-12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3
InChIKeyGHPIGIQGKCTKMD-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexyl-1-(1,4-dioxan-2-yl)ethan-1-amine
CID 65350927
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
3-(Cyclohexylmethyl)oxan-4-amine
CID 82398610
1-Cyclohexyl-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148877
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 113780883
1-(3,3-Difluorocyclohexyl)-4-(2-methoxyethoxy)butan-2-amine
CID 114224955
2-(Methoxymethyl)cyclohexan-1-amine
CID 12450320
(1S,2R)-2-(methoxymethyl)cyclohexanamine
CID 12450321
(1S,2S)-2-(methoxymethyl)cyclohexanamine
CID 55281430
(1R)-1-cyclohexyl-2-ethoxyethanamine
CID 57790690
(1S)-1-cyclohexyl-2-ethoxyethanamine
CID 57790871
(2S)-1-cyclohexyl-3-ethoxypropan-2-amine
CID 57791176

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine (CID 102927868) is 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine is COCCOCCC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is GHPIGIQGKCTKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-15-9-10-16-8-7-13(14)11-12-5-3-2-4-6-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine?
1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102927868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).