2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide

C14H29N3O — CID 58451802

IUPAC2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide
SMILESC=CCNCCCN(C)CCCNC(=O)C(C)C
InChIInChI=1S/C14H29N3O/c1-5-8-15-9-6-11-17(4)12-7-10-16-14(18)13(2)3/h5,13,15H,1,6-12H2,2-4H3,(H,16,18)
InChIKeyXXWNWIAXYIFHRJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.25
Rot. Bonds11

About 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide

2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide (PubChem CID 58451802) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide
PubChem CID58451802
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide
SMILESC=CCNCCCN(C)CCCNC(=O)C(C)C
InChIInChI=1S/C14H29N3O/c1-5-8-15-9-6-11-17(4)12-7-10-16-14(18)13(2)3/h5,13,15H,1,6-12H2,2-4H3,(H,16,18)
InChIKeyXXWNWIAXYIFHRJ-UHFFFAOYSA-N
XLogP1.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide 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 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide (CID 58451802) is 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide is C=CCNCCCN(C)CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide?
The InChIKey is XXWNWIAXYIFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-8-15-9-6-11-17(4)12-7-10-16-14(18)13(2)3/h5,13,15H,1,6-12H2,2-4H3,(H,16,18).
What are the key properties of 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide?
2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl-[3-(prop-2-enylamino)propyl]amino]propyl]propanamide is sourced from PubChem (CID 58451802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).