2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid

C16H32N2O2 — CID 107426098

IUPAC2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid
SMILESCC(C)C1CCCC(N(CCN(C)C)CC(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-13(2)14-6-5-7-15(9-8-14)18(12-16(19)20)11-10-17(3)4/h13-15H,5-12H2,1-4H3,(H,19,20)
InChIKeyMGVQQFVXADDDAG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.54
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid (PubChem CID 107426098) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid
PubChem CID107426098
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid
SMILESCC(C)C1CCCC(N(CCN(C)C)CC(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-13(2)14-6-5-7-15(9-8-14)18(12-16(19)20)11-10-17(3)4/h13-15H,5-12H2,1-4H3,(H,19,20)
InChIKeyMGVQQFVXADDDAG-UHFFFAOYSA-N
XLogP2.54
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
2-[2-(dimethylamino)ethyl-(3-methylsulfonylcyclohexyl)amino]acetic acid
CID 107425637
2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426275
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
N-methyl-N-(3-propan-2-ylcyclobutyl)acetamide;tris(propan-2-ylcyclobutane)
CID 159886924
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid (CID 107426098) is 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid is CC(C)C1CCCC(N(CCN(C)C)CC(=O)O)CC1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid?
The InChIKey is MGVQQFVXADDDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)14-6-5-7-15(9-8-14)18(12-16(19)20)11-10-17(3)4/h13-15H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid has a molecular weight of 284.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(4-propan-2-ylcycloheptyl)amino]acetic acid is sourced from PubChem (CID 107426098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).