3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide

C12H24N4O — CID 111961971

IUPAC3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)NC1CC1C
InChIInChI=1S/C12H24N4O/c1-5-13-12(15-10-8-9(10)2)14-7-6-11(17)16(3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyBYUCSBHQLIGKIN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.43
Rot. Bonds5

About 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide

3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 111961971) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
PubChem CID111961971
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)NC1CC1C
InChIInChI=1S/C12H24N4O/c1-5-13-12(15-10-8-9(10)2)14-7-6-11(17)16(3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15)
InChIKeyBYUCSBHQLIGKIN-UHFFFAOYSA-N
XLogP0.43
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111190417
3-[[ethylamino-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111318283
2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119149700
2-[[butylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365555
tert-butyl 3-[[N'-[3-(dimethylamino)-3-oxopropyl]-N-ethylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465293
1-ethyl-3-(2-methylcyclopropyl)-2-[(E)-pent-3-enyl]guanidine
CID 111587997
1-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-methylcyclopropyl)guanidine
CID 111962431
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111961689
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111961064
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111961961
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111963333
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
CID 111961317

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide (CID 111961971) is 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide is CCN/C(=N\CCC(=O)N(C)C)NC1CC1C.
What is the InChIKey of 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is BYUCSBHQLIGKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-13-12(15-10-8-9(10)2)14-7-6-11(17)16(3)4/h9-10H,5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide?
3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 111961971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).