N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide

C13H19N3O — CID 114041356

IUPACN-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
SMILESCc1cccc(NCCNC(=O)C2CC2)c1N
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-11(12(9)14)15-7-8-16-13(17)10-5-6-10/h2-4,10,15H,5-8,14H2,1H3,(H,16,17)
InChIKeyKGNSEUBKQFZANP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds5

About N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide

N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide (PubChem CID 114041356) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
PubChem CID114041356
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide
SMILESCc1cccc(NCCNC(=O)C2CC2)c1N
InChIInChI=1S/C13H19N3O/c1-9-3-2-4-11(12(9)14)15-7-8-16-13(17)10-5-6-10/h2-4,10,15H,5-8,14H2,1H3,(H,16,17)
InChIKeyKGNSEUBKQFZANP-UHFFFAOYSA-N
XLogP1.52
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,6-dimethylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115641192
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
N-[2-[(2-cyano-3-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 104696736
1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 114132963
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076
N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 7402612
N-[4-(5-amino-2-methylanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 120568117
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
1-N-[4-(2-methoxyethoxy)butyl]-3-methylbenzene-1,2-diamine
CID 114041355
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide (CID 114041356) is N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide is Cc1cccc(NCCNC(=O)C2CC2)c1N.
What is the InChIKey of N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide?
The InChIKey is KGNSEUBKQFZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-2-4-11(12(9)14)15-7-8-16-13(17)10-5-6-10/h2-4,10,15H,5-8,14H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide?
N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-3-methylanilino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 114041356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).