3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide

C9H20N4O — CID 103646369

IUPAC3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCCN/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C9H20N4O/c1-4-5-12-8(11)13-6-9(2,3)7(10)14/h4-6H2,1-3H3,(H2,10,14)(H3,11,12,13)
InChIKeyILANBJWQHOGILS-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.19
Rot. Bonds5

About 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 103646369) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID103646369
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCCN/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C9H20N4O/c1-4-5-12-8(11)13-6-9(2,3)7(10)14/h4-6H2,1-3H3,(H2,10,14)(H3,11,12,13)
InChIKeyILANBJWQHOGILS-UHFFFAOYSA-N
XLogP-0.19
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 109472544
3-[[Ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 109472545
N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 109472754
N,2,2-trimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109472755
3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
CID 109474238
3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 109474239
N-ethyl-2,2-dimethyl-3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]propanamide
CID 109474241
N-ethyl-3-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 109474243
N-[N'-[3-(2,2-dimethylpropylamino)propyl]carbamimidoyl]acetamide
CID 90210167
N-(diaminomethylidene)-3-(2,2-dimethylpropylamino)propanamide
CID 90210169
N-[N'-[3-(ethylamino)propyl]carbamimidoyl]acetamide
CID 90212346
3-amino-N-(N'-methylcarbamimidoyl)propanamide
CID 123176626

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 103646369) is 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide is CCCN/C(N)=N/CC(C)(C)C(N)=O.
What is the InChIKey of 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is ILANBJWQHOGILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-4-5-12-8(11)13-6-9(2,3)7(10)14/h4-6H2,1-3H3,(H2,10,14)(H3,11,12,13).
What are the key properties of 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 200.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(propylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103646369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).