2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide

C13H26N4O — CID 111365555

IUPAC2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NC1CC1C
InChIInChI=1S/C13H26N4O/c1-5-6-7-14-13(16-11-8-10(11)2)15-9-12(18)17(3)4/h10-11H,5-9H2,1-4H3,(H2,14,15,16)
InChIKeyXFPKUYZTQRRQHJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.82
Rot. Bonds6

About 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111365555) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111365555
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NC1CC1C
InChIInChI=1S/C13H26N4O/c1-5-6-7-14-13(16-11-8-10(11)2)15-9-12(18)17(3)4/h10-11H,5-9H2,1-4H3,(H2,14,15,16)
InChIKeyXFPKUYZTQRRQHJ-UHFFFAOYSA-N
XLogP0.82
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119149700
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111769730
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
2-[[(cyclohexylamino)-(pentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111128977
N,N-dimethyl-2-[[[(2-methylcyclopropyl)amino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 119145472
2-[[(butan-2-ylamino)-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545230
2-[[butylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111019180
2-[[butylamino-[(3-ethylsulfanylcyclohexyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110042558
2-[[(3-butoxypropylamino)-(cyclopentylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111841524
2-[[butylamino-(thian-3-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042602
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
CID 111961971
tert-butyl 3-[[N-butyl-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;hydroiodide
CID 110040334

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111365555) is 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N\CC(=O)N(C)C)NC1CC1C.
What is the InChIKey of 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XFPKUYZTQRRQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-6-7-14-13(16-11-8-10(11)2)15-9-12(18)17(3)4/h10-11H,5-9H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 254.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).