N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide

C11H22N2O — CID 138715999

IUPACN,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide
SMILESC=C(C)CC(C(=O)NC)C(CC)NC
InChIInChI=1S/C11H22N2O/c1-6-10(12-4)9(7-8(2)3)11(14)13-5/h9-10,12H,2,6-7H2,1,3-5H3,(H,13,14)
InChIKeyZTKBSKJUJNBJPJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.31
Rot. Bonds6

About N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide

N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide (PubChem CID 138715999) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide
PubChem CID138715999
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide
SMILESC=C(C)CC(C(=O)NC)C(CC)NC
InChIInChI=1S/C11H22N2O/c1-6-10(12-4)9(7-8(2)3)11(14)13-5/h9-10,12H,2,6-7H2,1,3-5H3,(H,13,14)
InChIKeyZTKBSKJUJNBJPJ-UHFFFAOYSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',2-dimethyl-3-(2-methylprop-2-enyl)butanediamide
CID 142005655
(2S)-2-butyl-N'-methyl-3-(2-methylprop-2-enyl)butanediamide
CID 154531690
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
(Z)-4-ethyl-N-methyl-5-methylideneoct-6-en-3-amine
CID 170144451
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
(2R)-2-amino-N-methylbutanamide
CID 14888796
N,2,5-trimethylhexa-1,5-dien-3-amine
CID 130348735
2-ethoxy-4-methyl-N-propan-2-ylpent-4-enamide
CID 21366326
1-[4-methyl-1-(methylamino)-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
CID 142099887
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
N-(5-methylhex-5-en-3-ylsulfanyl)methanamine
CID 143610831
2-ethyl-N-methylbutanediamide
CID 89267144

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide?
The IUPAC name of N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide (CID 138715999) is N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide.
What is the SMILES notation for N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide?
The canonical SMILES for N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide is C=C(C)CC(C(=O)NC)C(CC)NC.
What is the InChIKey of N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide?
The InChIKey is ZTKBSKJUJNBJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-10(12-4)9(7-8(2)3)11(14)13-5/h9-10,12H,2,6-7H2,1,3-5H3,(H,13,14).
What are the key properties of N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide?
N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[1-(methylamino)propyl]pent-4-enamide is sourced from PubChem (CID 138715999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).