2-(dimethylamino)-3-methylbutanamide;prop-2-enal

C10H20N2O2 — CID 169183599

IUPAC2-(dimethylamino)-3-methylbutanamide;prop-2-enal
SMILESC=CC=O.CC(C)C(C(N)=O)N(C)C
InChIInChI=1S/C7H16N2O.C3H4O/c1-5(2)6(7(8)10)9(3)4;1-2-3-4/h5-6H,1-4H3,(H2,8,10);2-3H,1H2
InChIKeyCEIOBCPAAAWDTP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.43
Rot. Bonds4

About 2-(dimethylamino)-3-methylbutanamide;prop-2-enal

2-(dimethylamino)-3-methylbutanamide;prop-2-enal (PubChem CID 169183599) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylbutanamide;prop-2-enal.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylbutanamide;prop-2-enal
PubChem CID169183599
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(dimethylamino)-3-methylbutanamide;prop-2-enal
SMILESC=CC=O.CC(C)C(C(N)=O)N(C)C
InChIInChI=1S/C7H16N2O.C3H4O/c1-5(2)6(7(8)10)9(3)4;1-2-3-4/h5-6H,1-4H3,(H2,8,10);2-3H,1H2
InChIKeyCEIOBCPAAAWDTP-UHFFFAOYSA-N
XLogP0.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;molecular hydrogen;prop-1-ene
CID 145302110
3-Methyl-2-[methyl(prop-2-enoyl)amino]butanamide
CID 176104773
2-(Dimethylamino)-3-methylpent-4-enamide;ethane;formaldehyde
CID 177952472

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylbutanamide;prop-2-enal?
The IUPAC name of 2-(dimethylamino)-3-methylbutanamide;prop-2-enal (CID 169183599) is 2-(dimethylamino)-3-methylbutanamide;prop-2-enal.
What is the SMILES notation for 2-(dimethylamino)-3-methylbutanamide;prop-2-enal?
The canonical SMILES for 2-(dimethylamino)-3-methylbutanamide;prop-2-enal is C=CC=O.CC(C)C(C(N)=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methylbutanamide;prop-2-enal?
The InChIKey is CEIOBCPAAAWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C3H4O/c1-5(2)6(7(8)10)9(3)4;1-2-3-4/h5-6H,1-4H3,(H2,8,10);2-3H,1H2.
What are the key properties of 2-(dimethylamino)-3-methylbutanamide;prop-2-enal?
2-(dimethylamino)-3-methylbutanamide;prop-2-enal has a molecular weight of 200.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylbutanamide;prop-2-enal is sourced from PubChem (CID 169183599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).