N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide

C20H40N4O — CID 72671792

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C20H40N4O/c1-18(2)9-6-10-19(3)17-20(25)24-16-8-15-23-13-5-4-12-22-14-7-11-21/h9,17,22-23H,4-8,10-16,21H2,1-3H3,(H,24,25)
InChIKeyIEEZHFPFKCLITF-UHFFFAOYSA-N
MW352.57 g/mol
LogP2.49
Rot. Bonds16

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide (PubChem CID 72671792) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
PubChem CID72671792
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C20H40N4O/c1-18(2)9-6-10-19(3)17-20(25)24-16-8-15-23-13-5-4-12-22-14-7-11-21/h9,17,22-23H,4-8,10-16,21H2,1-3H3,(H,24,25)
InChIKeyIEEZHFPFKCLITF-UHFFFAOYSA-N
XLogP2.49
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-[3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propyl]octane-1,8-diamine
CID 147822843
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine
CID 123875955
N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide
CID 87482801
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159062074
N-[2-(4-aminobutylamino)ethyl]acetamide;N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide;N-[2-(2-aminoethylamino)ethyl]acetamide;N-[3-(2-aminoethylamino)propyl]acetamide;N-[3-[4-[3-(2-aminoethylamino)propylamino]butylamino]propyl]acetamide;N-[2-[3-(2-aminoethylamino)propylamino]ethyl]acetamide;N-[3-[3-(2-aminoethylamino)propylamino]propyl]acetamide;N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide;N-[2-(3-aminopropylamino)ethyl]acetamide;N-[2-[2-(3-aminopropylamino)ethylamino]ethyl]acetamide
CID 159263128
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-[2-[4-(3-aminopropylamino)butylamino]ethyl]acetamide
CID 59687521
N-[2-(1H-imidazol-5-yl)ethyl]-3,7-dimethylocta-2,6-dienamide
CID 171776536

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide (CID 72671792) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide is CC(C)=CCCC(C)=CC(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide?
The InChIKey is IEEZHFPFKCLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O/c1-18(2)9-6-10-19(3)17-20(25)24-16-8-15-23-13-5-4-12-22-14-7-11-21/h9,17,22-23H,4-8,10-16,21H2,1-3H3,(H,24,25).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide has a molecular weight of 352.57 g/mol, XLogP of 2.49, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide is sourced from PubChem (CID 72671792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).