N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide

C12H25N3O — CID 89105810

IUPACN-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
SMILESC=C(C)NCCCN(C)CCCNC(C)=O
InChIInChI=1S/C12H25N3O/c1-11(2)13-7-5-9-15(4)10-6-8-14-12(3)16/h13H,1,5-10H2,2-4H3,(H,14,16)
InChIKeyMOUKFGUHZIIQPW-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.96
Rot. Bonds9

About N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide

N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide (PubChem CID 89105810) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
PubChem CID89105810
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
SMILESC=C(C)NCCCN(C)CCCNC(C)=O
InChIInChI=1S/C12H25N3O/c1-11(2)13-7-5-9-15(4)10-6-8-14-12(3)16/h13H,1,5-10H2,2-4H3,(H,14,16)
InChIKeyMOUKFGUHZIIQPW-UHFFFAOYSA-N
XLogP0.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide?
The IUPAC name of N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide (CID 89105810) is N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide is C=C(C)NCCCN(C)CCCNC(C)=O.
What is the InChIKey of N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide?
The InChIKey is MOUKFGUHZIIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)13-7-5-9-15(4)10-6-8-14-12(3)16/h13H,1,5-10H2,2-4H3,(H,14,16).
What are the key properties of N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide?
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide is sourced from PubChem (CID 89105810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).