N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide

C13H24N4O — CID 110988911

IUPACN-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NC1CC1
InChIInChI=1S/C13H24N4O/c1-2-14-13(17-11-7-8-11)15-9-3-4-12(18)16-10-5-6-10/h10-11H,2-9H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyHGUXLDYTHPUIRW-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.76
Rot. Bonds7

About N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide

N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide (PubChem CID 110988911) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
PubChem CID110988911
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
SMILESCCN/C(=N\CCCC(=O)NC1CC1)NC1CC1
InChIInChI=1S/C13H24N4O/c1-2-14-13(17-11-7-8-11)15-9-3-4-12(18)16-10-5-6-10/h10-11H,2-9H2,1H3,(H,16,18)(H2,14,15,17)
InChIKeyHGUXLDYTHPUIRW-UHFFFAOYSA-N
XLogP0.76
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.76
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'}

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Related Compounds

4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
4-[[(3-cyclopentylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111946619
4-[[(3-cyclohexylpropylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111947391
4-[[[2-(2-butoxyethoxy)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide
CID 111694062
tert-butyl N-[2-[[N'-[4-(cyclopropylamino)-4-oxobutyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884562
N-cyclopropyl-4-[[ethylamino-(2-phenylethylamino)methylidene]amino]butanamide
CID 111135367
N-cyclopropyl-4-[[ethylamino-[3-(2-methylpropoxy)propylamino]methylidene]amino]butanamide;hydroiodide
CID 111400764
N-cyclopropyl-4-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]butanamide;hydroiodide
CID 111649683
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988
N-cyclopropyl-4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110956221
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide (CID 110988911) is N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide is CCN/C(=N\CCCC(=O)NC1CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide?
The InChIKey is HGUXLDYTHPUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-14-13(17-11-7-8-11)15-9-3-4-12(18)16-10-5-6-10/h10-11H,2-9H2,1H3,(H,16,18)(H2,14,15,17).
What are the key properties of N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide?
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide has a molecular weight of 252.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide is sourced from PubChem (CID 110988911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).