N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide

C15H29N3O2 — CID 139534789

IUPACN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)C.CC(C)=C(C)C(N)=O
InChIInChI=1S/C9H18N2O.C6H11NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-4(2)5(3)6(7)8/h1,5-7H2,2-4H3,(H,10,12);1-3H3,(H2,7,8)
InChIKeyCQRQQDCLXRHPSM-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.46
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide (PubChem CID 139534789) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
PubChem CID139534789
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
SMILESC=C(C)C(=O)NCCCN(C)C.CC(C)=C(C)C(N)=O
InChIInChI=1S/C9H18N2O.C6H11NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-4(2)5(3)6(7)8/h1,5-7H2,2-4H3,(H,10,12);1-3H3,(H2,7,8)
InChIKeyCQRQQDCLXRHPSM-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
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-deuterio-3-(dimethylamino)propyl]-2-methylprop-2-enamide
CID 175928918
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
CID 162373354
N-[3-[acetyl(chloro)amino]propyl]-2-methylprop-2-enamide
CID 87932132
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide (CID 139534789) is N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide is C=C(C)C(=O)NCCCN(C)C.CC(C)=C(C)C(N)=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide?
The InChIKey is CQRQQDCLXRHPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C6H11NO/c1-8(2)9(12)10-6-5-7-11(3)4;1-4(2)5(3)6(7)8/h1,5-7H2,2-4H3,(H,10,12);1-3H3,(H2,7,8).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide?
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide has a molecular weight of 283.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide is sourced from PubChem (CID 139534789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).