N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide

C13H27N3O — CID 130352670

IUPACN-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide
SMILESCCCN(/C=C\N)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-5-9-16(11-7-14)10-6-8-15-12(17)13(2,3)4/h7,11H,5-6,8-10,14H2,1-4H3,(H,15,17)/b11-7-
InChIKeyBXMMILQKNSQWQP-XFFZJAGNSA-N
MW241.38 g/mol
LogP1.68
Rot. Bonds7

About N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide

N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide (PubChem CID 130352670) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide
PubChem CID130352670
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide
SMILESCCCN(/C=C\N)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-5-9-16(11-7-14)10-6-8-15-12(17)13(2,3)4/h7,11H,5-6,8-10,14H2,1-4H3,(H,15,17)/b11-7-
InChIKeyBXMMILQKNSQWQP-XFFZJAGNSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide (CID 130352670) is N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide is CCCN(/C=C\N)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide?
The InChIKey is BXMMILQKNSQWQP-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-9-16(11-7-14)10-6-8-15-12(17)13(2,3)4/h7,11H,5-6,8-10,14H2,1-4H3,(H,15,17)/b11-7-.
What are the key properties of N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide?
N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(Z)-2-aminoethenyl]-propylamino]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130352670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).