N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene

C12H24N2O — CID 91268844

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
SMILESC=C(C)C(=O)NCCCN(C)C.C=CC
InChIInChI=1S/C9H18N2O.C3H6/c1-8(2)9(12)10-6-5-7-11(3)4;1-3-2/h1,5-7H2,2-4H3,(H,10,12);3H,1H2,2H3
InChIKeyPNDTVLWSQHQXEN-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.82
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene (PubChem CID 91268844) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
PubChem CID91268844
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
SMILESC=C(C)C(=O)NCCCN(C)C.C=CC
InChIInChI=1S/C9H18N2O.C3H6/c1-8(2)9(12)10-6-5-7-11(3)4;1-3-2/h1,5-7H2,2-4H3,(H,10,12);3H,1H2,2H3
InChIKeyPNDTVLWSQHQXEN-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 139534789
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
N-[3-deuterio-3-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 175928918
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
CID 87413302
[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 89186109
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
CID 87932132
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
2-methyl-N-[3-[propyl(silyl)amino]propyl]prop-2-enamide
CID 173204091
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene (CID 91268844) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene is C=C(C)C(=O)NCCCN(C)C.C=CC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene?
The InChIKey is PNDTVLWSQHQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C3H6/c1-8(2)9(12)10-6-5-7-11(3)4;1-3-2/h1,5-7H2,2-4H3,(H,10,12);3H,1H2,2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene has a molecular weight of 212.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene is sourced from PubChem (CID 91268844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).