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

C14H28N2O3 — CID 79641945

IUPAC1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(CC(C)C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)10-16(7-8-19-3)12-5-4-6-14(15,9-12)13(17)18/h11-12H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyPBZAXSKVJJQLOV-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.32
Rot. Bonds7

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

1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 79641945) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
PubChem CID79641945
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
SMILESCOCCN(CC(C)C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)10-16(7-8-19-3)12-5-4-6-14(15,9-12)13(17)18/h11-12H,4-10,15H2,1-3H3,(H,17,18)
InChIKeyPBZAXSKVJJQLOV-UHFFFAOYSA-N
XLogP1.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
[3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79655970
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
CID 79636591
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-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid (CID 79641945) is 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid is COCCN(CC(C)C)C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PBZAXSKVJJQLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)10-16(7-8-19-3)12-5-4-6-14(15,9-12)13(17)18/h11-12H,4-10,15H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid?
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79641945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).