(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide

C9H19N3O — CID 130247597

IUPAC(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide
SMILESC/C(=C\C(N)CCN(C)C)C(N)=O
InChIInChI=1S/C9H19N3O/c1-7(9(11)13)6-8(10)4-5-12(2)3/h6,8H,4-5,10H2,1-3H3,(H2,11,13)/b7-6+
InChIKeyMXAUJCJQMKQRBW-VOTSOKGWSA-N
MW185.27 g/mol
LogP-0.30
Rot. Bonds5

About (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide

(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide (PubChem CID 130247597) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide
PubChem CID130247597
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide
SMILESC/C(=C\C(N)CCN(C)C)C(N)=O
InChIInChI=1S/C9H19N3O/c1-7(9(11)13)6-8(10)4-5-12(2)3/h6,8H,4-5,10H2,1-3H3,(H2,11,13)/b7-6+
InChIKeyMXAUJCJQMKQRBW-VOTSOKGWSA-N
XLogP-0.30
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide?
The IUPAC name of (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide (CID 130247597) is (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide.
What is the SMILES notation for (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide?
The canonical SMILES for (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide is C/C(=C\C(N)CCN(C)C)C(N)=O.
What is the InChIKey of (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide?
The InChIKey is MXAUJCJQMKQRBW-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(11)13)6-8(10)4-5-12(2)3/h6,8H,4-5,10H2,1-3H3,(H2,11,13)/b7-6+.
What are the key properties of (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide?
(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide has a molecular weight of 185.27 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide is sourced from PubChem (CID 130247597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).