N-butyl-2-(dimethylamino)prop-2-enamide

C9H18N2O — CID 87436386

IUPACN-butyl-2-(dimethylamino)prop-2-enamide
SMILESC=C(C(=O)NCCCC)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-7-10-9(12)8(2)11(3)4/h2,5-7H2,1,3-4H3,(H,10,12)
InChIKeySUERFKWYGXMUJX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.98
Rot. Bonds5

About N-butyl-2-(dimethylamino)prop-2-enamide

N-butyl-2-(dimethylamino)prop-2-enamide (PubChem CID 87436386) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-butyl-2-(dimethylamino)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-2-(dimethylamino)prop-2-enamide
PubChem CID87436386
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-butyl-2-(dimethylamino)prop-2-enamide
SMILESC=C(C(=O)NCCCC)N(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-7-10-9(12)8(2)11(3)4/h2,5-7H2,1,3-4H3,(H,10,12)
InChIKeySUERFKWYGXMUJX-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(dimethylamino)prop-2-enamide?
The IUPAC name of N-butyl-2-(dimethylamino)prop-2-enamide (CID 87436386) is N-butyl-2-(dimethylamino)prop-2-enamide.
What is the SMILES notation for N-butyl-2-(dimethylamino)prop-2-enamide?
The canonical SMILES for N-butyl-2-(dimethylamino)prop-2-enamide is C=C(C(=O)NCCCC)N(C)C.
What is the InChIKey of N-butyl-2-(dimethylamino)prop-2-enamide?
The InChIKey is SUERFKWYGXMUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-7-10-9(12)8(2)11(3)4/h2,5-7H2,1,3-4H3,(H,10,12).
What are the key properties of N-butyl-2-(dimethylamino)prop-2-enamide?
N-butyl-2-(dimethylamino)prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(dimethylamino)prop-2-enamide is sourced from PubChem (CID 87436386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).