4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide

C12H22N4O — CID 110030235

IUPAC4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
SMILESCN(/C(N)=N/CCCC(=O)NC1CC1)C1CC1
InChIInChI=1S/C12H22N4O/c1-16(10-6-7-10)12(13)14-8-2-3-11(17)15-9-4-5-9/h9-10H,2-8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyIGZDRMYLLYTCPC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds6

About 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide

4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide (PubChem CID 110030235) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
PubChem CID110030235
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
SMILESCN(/C(N)=N/CCCC(=O)NC1CC1)C1CC1
InChIInChI=1S/C12H22N4O/c1-16(10-6-7-10)12(13)14-8-2-3-11(17)15-9-4-5-9/h9-10H,2-8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyIGZDRMYLLYTCPC-UHFFFAOYSA-N
XLogP0.45
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
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

3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
N-cyclopropyl-4-(dimethylamino)butanamide
CID 66617173
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide
CID 110031910
4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
N,N'-dicyclopropyldecanediamide
CID 4668836
4-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066097
3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
CID 134484614
1-cyclopropyl-2-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-methylguanidine
CID 110030113
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
4-[[amino-(3,4-dimethylanilino)methylidene]amino]-N-cyclopropylbutanamide
CID 111066104
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114

Frequently Asked Questions

What is the IUPAC name of 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide (CID 110030235) is 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide is CN(/C(N)=N/CCCC(=O)NC1CC1)C1CC1.
What is the InChIKey of 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide?
The InChIKey is IGZDRMYLLYTCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16(10-6-7-10)12(13)14-8-2-3-11(17)15-9-4-5-9/h9-10H,2-8H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide?
4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 110030235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).