N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide

C10H20N2O — CID 131991603

IUPACN-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide
SMILESC=C(CN(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(7-12(5)6)9(13)11-10(2,3)4/h1,7H2,2-6H3,(H,11,13)
InChIKeyBPVFHJBTXHMKKE-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds3

About N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide

N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide (PubChem CID 131991603) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide
PubChem CID131991603
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide
SMILESC=C(CN(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8(7-12(5)6)9(13)11-10(2,3)4/h1,7H2,2-6H3,(H,11,13)
InChIKeyBPVFHJBTXHMKKE-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide?
The IUPAC name of N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide (CID 131991603) is N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide.
What is the SMILES notation for N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide?
The canonical SMILES for N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide is C=C(CN(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide?
The InChIKey is BPVFHJBTXHMKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(7-12(5)6)9(13)11-10(2,3)4/h1,7H2,2-6H3,(H,11,13).
What are the key properties of N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide?
N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(dimethylamino)methyl]prop-2-enamide is sourced from PubChem (CID 131991603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).