N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide

C10H20N2O — CID 115278744

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C10H20N2O/c1-5-6-9(13)12(4)8-10(2,3)7-11/h5-6H,7-8,11H2,1-4H3
InChIKeyRCOIODHNBAOCRX-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.01
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide

N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide (PubChem CID 115278744) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide
PubChem CID115278744
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C10H20N2O/c1-5-6-9(13)12(4)8-10(2,3)7-11/h5-6H,7-8,11H2,1-4H3
InChIKeyRCOIODHNBAOCRX-UHFFFAOYSA-N
XLogP1.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.01
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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Related Compounds

N,N-Dimethylaminopropyl acrylamide
CID 77452
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
N-methyl-N-[3-(methylamino)propyl]prop-2-enamide
CID 22239202
1-[3-(Dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione
CID 28502494
N-(3-aminopropyl)-N,2-dimethylbut-2-enamide
CID 53806406
N-(3-(Dimethylamino)-2,2-dimethylpropyl)acrylamide
CID 88388
N-(3-(Dimethylamino)-2,2-dimethylpropyl)methacrylamide
CID 3018570
3-(N,N-Diethylamino)propylacrylamide
CID 11194734
(E)-N-(2,2-dimethylpropyl)-4-fluorobut-2-enamide
CID 168082317
Triethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 10013436
Dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 18325530
Ethyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 18325531

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide (CID 115278744) is N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide is CC=CC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide?
The InChIKey is RCOIODHNBAOCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-9(13)12(4)8-10(2,3)7-11/h5-6H,7-8,11H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide?
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide is sourced from PubChem (CID 115278744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).