(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide

C12H24N2O — CID 79667596

IUPAC(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide
SMILESC/C=C/C(=O)N(CCC)CC(C)(C)CN
InChIInChI=1S/C12H24N2O/c1-5-7-11(15)14(8-6-2)10-12(3,4)9-13/h5,7H,6,8-10,13H2,1-4H3/b7-5+
InChIKeyLHPNCFRRVLJCIP-FNORWQNLSA-N
MW212.34 g/mol
LogP1.79
Rot. Bonds6

About (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide

(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide (PubChem CID 79667596) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide
PubChem CID79667596
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide
SMILESC/C=C/C(=O)N(CCC)CC(C)(C)CN
InChIInChI=1S/C12H24N2O/c1-5-7-11(15)14(8-6-2)10-12(3,4)9-13/h5,7H,6,8-10,13H2,1-4H3/b7-5+
InChIKeyLHPNCFRRVLJCIP-FNORWQNLSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide?
The IUPAC name of (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide (CID 79667596) is (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide?
The canonical SMILES for (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide is C/C=C/C(=O)N(CCC)CC(C)(C)CN.
What is the InChIKey of (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide?
The InChIKey is LHPNCFRRVLJCIP-FNORWQNLSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-11(15)14(8-6-2)10-12(3,4)9-13/h5,7H,6,8-10,13H2,1-4H3/b7-5+.
What are the key properties of (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide?
(E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-2,2-dimethylpropyl)-N-propylbut-2-enamide is sourced from PubChem (CID 79667596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).