N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide

C13H26N4O — CID 110943948

IUPACN-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NC(C)CC
InChIInChI=1S/C13H26N4O/c1-4-10(3)17-13(14-5-2)16-9-8-15-12(18)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)(H2,14,16,17)
InChIKeyUVJSNUONXQSMPQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.87
Rot. Bonds7

About N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide

N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide (PubChem CID 110943948) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
PubChem CID110943948
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NC(C)CC
InChIInChI=1S/C13H26N4O/c1-4-10(3)17-13(14-5-2)16-9-8-15-12(18)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)(H2,14,16,17)
InChIKeyUVJSNUONXQSMPQ-UHFFFAOYSA-N
XLogP0.87
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.87
H-Bond Donors ≤ 53
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'}

Analyze N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111001078
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110988228
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 110977680
N-[2-[[N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111842235
1-butan-2-yl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethylguanidine
CID 111545345
1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 110943562
1-butan-2-yl-2-(2,2-dicyclopropylethyl)-3-ethylguanidine
CID 111492016
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 110946152
N-[2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 113219499
N-[2-[[ethylamino-[2-(2-fluorophenyl)sulfanylethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111578568
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110944024

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide (CID 110943948) is N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide is CCN/C(=N\CCNC(=O)C1CC1)NC(C)CC.
What is the InChIKey of N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is UVJSNUONXQSMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-10(3)17-13(14-5-2)16-9-8-15-12(18)11-6-7-11/h10-11H,4-9H2,1-3H3,(H,15,18)(H2,14,16,17).
What are the key properties of N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110943948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).