1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide

C14H27N3O2 — CID 108973461

IUPAC1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-5-6-10-17(4)13(19)14(7-8-14)12(18)15-9-11-16(2)3/h5-11H2,1-4H3,(H,15,18)
InChIKeySEYPMLYNFAJGFD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.70
Rot. Bonds8

About 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide (PubChem CID 108973461) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
PubChem CID108973461
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C14H27N3O2/c1-5-6-10-17(4)13(19)14(7-8-14)12(18)15-9-11-16(2)3/h5-11H2,1-4H3,(H,15,18)
InChIKeySEYPMLYNFAJGFD-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970270
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971181
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979955
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
N-[2-(dimethylamino)ethyl]-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972323
1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973473
1-N-[2-(dimethylamino)ethyl]-1-N'-(2-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973512

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide (CID 108973461) is 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)NCCN(C)C)CC1.
What is the InChIKey of 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
The InChIKey is SEYPMLYNFAJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-6-10-17(4)13(19)14(7-8-14)12(18)15-9-11-16(2)3/h5-11H2,1-4H3,(H,15,18).
What are the key properties of 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).