N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide

C20H39N3O — CID 87482801

IUPACN-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide
SMILESCCCCCCCC=CC(C)=CC(=O)NCCCNCCCCN
InChIInChI=1S/C20H39N3O/c1-3-4-5-6-7-8-9-13-19(2)18-20(24)23-17-12-16-22-15-11-10-14-21/h9,13,18,22H,3-8,10-12,14-17,21H2,1-2H3,(H,23,24)
InChIKeyAFMGSBVWHVEWBL-UHFFFAOYSA-N
MW337.55 g/mol
LogP3.68
Rot. Bonds16

About N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide

N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide (PubChem CID 87482801) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide.

Molecular Properties

Compound NameN-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide
PubChem CID87482801
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC NameN-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide
SMILESCCCCCCCC=CC(C)=CC(=O)NCCCNCCCCN
InChIInChI=1S/C20H39N3O/c1-3-4-5-6-7-8-9-13-19(2)18-20(24)23-17-12-16-22-15-11-10-14-21/h9,13,18,22H,3-8,10-12,14-17,21H2,1-2H3,(H,23,24)
InChIKeyAFMGSBVWHVEWBL-UHFFFAOYSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-(4-aminobutylamino)propyl]octadec-9-enamide
CID 6366527
(Z)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]octadec-9-enamide
CID 10819608
(E)-N-butyldec-2-enamide
CID 160628271
N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(Z)-N-[1-[3-[4-(3-acetamidopropylamino)butylamino]propylamino]-6-amino-1-oxohexan-2-yl]octadec-9-enamide
CID 58668171
N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
CID 11699408
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide
CID 87957327

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide?
The IUPAC name of N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide (CID 87482801) is N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide.
What is the SMILES notation for N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide?
The canonical SMILES for N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide is CCCCCCCC=CC(C)=CC(=O)NCCCNCCCCN.
What is the InChIKey of N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide?
The InChIKey is AFMGSBVWHVEWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-3-4-5-6-7-8-9-13-19(2)18-20(24)23-17-12-16-22-15-11-10-14-21/h9,13,18,22H,3-8,10-12,14-17,21H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide?
N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide has a molecular weight of 337.55 g/mol, XLogP of 3.68, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutylamino)propyl]-3-methyldodeca-2,4-dienamide is sourced from PubChem (CID 87482801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).