1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

C13H25N3O2 — CID 108971181

IUPAC1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)9-15-12(18)13(5-6-13)11(17)14-7-8-16(3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyKTDCZLMAKAYWLW-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.22
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971181) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971181
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)9-15-12(18)13(5-6-13)11(17)14-7-8-16(3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,18)
InChIKeyKTDCZLMAKAYWLW-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973473
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971222
1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108973461
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971239
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
N-[2-(dimethylamino)ethyl]-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972323
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971312
1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973418

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (CID 108971181) is 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is CC(C)CNC(=O)C1(C(=O)NCCN(C)C)CC1.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is KTDCZLMAKAYWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)9-15-12(18)13(5-6-13)11(17)14-7-8-16(3)4/h10H,5-9H2,1-4H3,(H,14,17)(H,15,18).
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).