N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide

C14H32N4O — CID 154982765

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C14H32N4O/c1-13(2)14(19)18-12-6-11-17-9-4-3-8-16-10-5-7-15/h13,16-17H,3-12,15H2,1-2H3,(H,18,19)
InChIKeyCEIXTAHWGXFNFA-UHFFFAOYSA-N
MW272.44 g/mol
LogP0.46
Rot. Bonds13

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide (PubChem CID 154982765) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
PubChem CID154982765
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C14H32N4O/c1-13(2)14(19)18-12-6-11-17-9-4-3-8-16-10-5-7-15/h13,16-17H,3-12,15H2,1-2H3,(H,18,19)
InChIKeyCEIXTAHWGXFNFA-UHFFFAOYSA-N
XLogP0.46
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide 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

N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride
CID 71757297
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355
N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
CID 135056308
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-hydroxypropanamide
CID 10924229
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695
N-[4-(3-aminopropylamino)butyl]acetamide;hydron;dichloride
CID 74764694
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(2-methylpropylamino)hexanamide
CID 88877305
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
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
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide (CID 154982765) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide is CC(C)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide?
The InChIKey is CEIXTAHWGXFNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-13(2)14(19)18-12-6-11-17-9-4-3-8-16-10-5-7-15/h13,16-17H,3-12,15H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide has a molecular weight of 272.44 g/mol, XLogP of 0.46, 13 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]-2-methylpropanamide is sourced from PubChem (CID 154982765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).