4-(dimethylamino)-1-methylazepane-4-carboxylic acid

C10H20N2O2 — CID 65072555

IUPAC4-(dimethylamino)-1-methylazepane-4-carboxylic acid
SMILESCN1CCCC(C(=O)O)(N(C)C)CC1
InChIInChI=1S/C10H20N2O2/c1-11(2)10(9(13)14)5-4-7-12(3)8-6-10/h4-8H2,1-3H3,(H,13,14)
InChIKeyLTXXBYLQLAPTLD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds2

About 4-(dimethylamino)-1-methylazepane-4-carboxylic acid

4-(dimethylamino)-1-methylazepane-4-carboxylic acid (PubChem CID 65072555) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(dimethylamino)-1-methylazepane-4-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-1-methylazepane-4-carboxylic acid
PubChem CID65072555
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(dimethylamino)-1-methylazepane-4-carboxylic acid
SMILESCN1CCCC(C(=O)O)(N(C)C)CC1
InChIInChI=1S/C10H20N2O2/c1-11(2)10(9(13)14)5-4-7-12(3)8-6-10/h4-8H2,1-3H3,(H,13,14)
InChIKeyLTXXBYLQLAPTLD-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-methylazepane-4-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-1-methylazepane-4-carboxylic acid (CID 65072555) is 4-(dimethylamino)-1-methylazepane-4-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-1-methylazepane-4-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-1-methylazepane-4-carboxylic acid is CN1CCCC(C(=O)O)(N(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-methylazepane-4-carboxylic acid?
The InChIKey is LTXXBYLQLAPTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11(2)10(9(13)14)5-4-7-12(3)8-6-10/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-(dimethylamino)-1-methylazepane-4-carboxylic acid?
4-(dimethylamino)-1-methylazepane-4-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-methylazepane-4-carboxylic acid is sourced from PubChem (CID 65072555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).