1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid

C9H18N2O2 — CID 79636513

IUPAC1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)7-4-3-5-9(10,6-7)8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyBGIAZGMROBBHAL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.27
Rot. Bonds2

About 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid

1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid (PubChem CID 79636513) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
PubChem CID79636513
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)C1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)7-4-3-5-9(10,6-7)8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyBGIAZGMROBBHAL-UHFFFAOYSA-N
XLogP0.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[cyclopropyl(ethyl)amino]cyclohexane-1-carboxylic acid
CID 79636761
1-amino-3-[cyclohexyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 79650265
1-amino-3-[cyclopropyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636531
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79641776
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655552
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid (CID 79636513) is 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid is CN(C)C1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is BGIAZGMROBBHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)7-4-3-5-9(10,6-7)8(12)13/h7H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid?
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).