1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid

C12H24N2O3 — CID 79641683

IUPAC1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN(CCOC)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C12H24N2O3/c1-3-14(7-8-17-2)10-5-4-6-12(13,9-10)11(15)16/h10H,3-9,13H2,1-2H3,(H,15,16)
InChIKeySJIZPYGISLOFHI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.68
Rot. Bonds6

About 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid

1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79641683) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79641683
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
SMILESCCN(CCOC)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C12H24N2O3/c1-3-14(7-8-17-2)10-5-4-6-12(13,9-10)11(15)16/h10H,3-9,13H2,1-2H3,(H,15,16)
InChIKeySJIZPYGISLOFHI-UHFFFAOYSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
[3-[ethyl(2-methoxyethyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640869
1-amino-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636531
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
CID 79636513
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol
CID 79655898

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid (CID 79641683) is 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid is CCN(CCOC)C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SJIZPYGISLOFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-14(7-8-17-2)10-5-4-6-12(13,9-10)11(15)16/h10H,3-9,13H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid?
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).