N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide

C10H20N2O — CID 87997510

IUPACN-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)C(C)N(C)C
InChIInChI=1S/C10H20N2O/c1-6-9(8(3)12(4)5)11-10(13)7-2/h7-9H,2,6H2,1,3-5H3,(H,11,13)
InChIKeyCGHXSCYBPBXLSS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds5

About N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide

N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide (PubChem CID 87997510) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
PubChem CID87997510
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)C(C)N(C)C
InChIInChI=1S/C10H20N2O/c1-6-9(8(3)12(4)5)11-10(13)7-2/h7-9H,2,6H2,1,3-5H3,(H,11,13)
InChIKeyCGHXSCYBPBXLSS-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide 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-[2-(dimethylamino)pentan-3-yl]prop-2-enamide?
The IUPAC name of N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide (CID 87997510) is N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide?
The canonical SMILES for N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide is C=CC(=O)NC(CC)C(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide?
The InChIKey is CGHXSCYBPBXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-9(8(3)12(4)5)11-10(13)7-2/h7-9H,2,6H2,1,3-5H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide?
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide is sourced from PubChem (CID 87997510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).