N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide

C13H26N4O — CID 111159219

IUPACN-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCCN(C)/C(=N\C)NCCNC(=O)C1CC1
InChIInChI=1S/C13H26N4O/c1-4-5-10-17(3)13(14-2)16-9-8-15-12(18)11-6-7-11/h11H,4-10H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyUKQNNORTJHHXNG-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.82
Rot. Bonds7

About N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 111159219) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID111159219
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCCN(C)/C(=N\C)NCCNC(=O)C1CC1
InChIInChI=1S/C13H26N4O/c1-4-5-10-17(3)13(14-2)16-9-8-15-12(18)11-6-7-11/h11H,4-10H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyUKQNNORTJHHXNG-UHFFFAOYSA-N
XLogP0.82
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
N-[2-[[N,N'-dimethyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111273615
1-butyl-1,2-dimethyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111160040
1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide
CID 111160377
N-[2-[[N-[(4-ethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111275004
N-[2-[[N-[(3-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111305504
N-[3-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111159717
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111158721
N-[2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111239506
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
1-butyl-3-(5-methoxypentyl)-1,2-dimethylguanidine;hydroiodide
CID 111159574
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(2-methoxyethyl)acetamide
CID 111160046

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide (CID 111159219) is N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide is CCCCN(C)/C(=N\C)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UKQNNORTJHHXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-5-10-17(3)13(14-2)16-9-8-15-12(18)11-6-7-11/h11H,4-10H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111159219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).