1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid

C12H24N2O2 — CID 61001659

IUPAC1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NCCN(C)C)(C(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-6-12(7-5-10,11(15)16)13-8-9-14(2)3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyUYXMYOHZQYQCAA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid

1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 61001659) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID61001659
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NCCN(C)C)(C(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-6-12(7-5-10,11(15)16)13-8-9-14(2)3/h10,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyUYXMYOHZQYQCAA-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(dimethylamino)ethylamino]-4-methylcycloheptane-1-carboxylate
CID 65085158
1-(3-hydroxypropylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114989050
1-[3-(dimethylamino)propylamino]cyclopropane-1-carboxylic acid
CID 114525928
3-[2-(dimethylamino)ethylamino]-5-methylthiolane-3-carboxylic acid
CID 79949888
1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64759455
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
CID 54895132
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61187593
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
1-[[2-cyanoethyl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61184362
1-[[3-(dimethylamino)propanoylamino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441031
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid (CID 61001659) is 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NCCN(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is UYXMYOHZQYQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-4-6-12(7-5-10,11(15)16)13-8-9-14(2)3/h10,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid?
1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61001659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).