3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide

C10H22N4O — CID 103822793

IUPAC3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCCCN/C(N)=N/CC(C)(C)C(=O)NC
InChIInChI=1S/C10H22N4O/c1-5-6-13-9(11)14-7-10(2,3)8(15)12-4/h5-7H2,1-4H3,(H,12,15)(H3,11,13,14)
InChIKeyUSQRYNAUMWDUDW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.07
Rot. Bonds5

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

3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide (PubChem CID 103822793) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide
PubChem CID103822793
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCCCN/C(N)=N/CC(C)(C)C(=O)NC
InChIInChI=1S/C10H22N4O/c1-5-6-13-9(11)14-7-10(2,3)8(15)12-4/h5-7H2,1-4H3,(H,12,15)(H3,11,13,14)
InChIKeyUSQRYNAUMWDUDW-UHFFFAOYSA-N
XLogP0.07
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.07
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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Frequently Asked Questions

What is the IUPAC name of 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide (CID 103822793) is 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide is CCCN/C(N)=N/CC(C)(C)C(=O)NC.
What is the InChIKey of 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The InChIKey is USQRYNAUMWDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-5-6-13-9(11)14-7-10(2,3)8(15)12-4/h5-7H2,1-4H3,(H,12,15)(H3,11,13,14).
What are the key properties of 3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide?
3-[[amino(propylamino)methylidene]amino]-N,2,2-trimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.07, 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]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103822793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).