N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide

C13H25N3O — CID 57263767

IUPACN-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide
SMILESC=C=CCC(CCCN)NCCCNC(C)=O
InChIInChI=1S/C13H25N3O/c1-3-4-7-13(8-5-9-14)16-11-6-10-15-12(2)17/h4,13,16H,1,5-11,14H2,2H3,(H,15,17)
InChIKeyJEKSGNLILNGAME-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.94
Rot. Bonds10

About N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide

N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide (PubChem CID 57263767) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide
PubChem CID57263767
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide
SMILESC=C=CCC(CCCN)NCCCNC(C)=O
InChIInChI=1S/C13H25N3O/c1-3-4-7-13(8-5-9-14)16-11-6-10-15-12(2)17/h4,13,16H,1,5-11,14H2,2H3,(H,15,17)
InChIKeyJEKSGNLILNGAME-UHFFFAOYSA-N
XLogP0.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
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-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide?
The IUPAC name of N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide (CID 57263767) is N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide.
What is the SMILES notation for N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide?
The canonical SMILES for N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide is C=C=CCC(CCCN)NCCCNC(C)=O.
What is the InChIKey of N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide?
The InChIKey is JEKSGNLILNGAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-4-7-13(8-5-9-14)16-11-6-10-15-12(2)17/h4,13,16H,1,5-11,14H2,2H3,(H,15,17).
What are the key properties of N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide?
N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.94, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide is sourced from PubChem (CID 57263767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).