(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide

C14H27NO — CID 21366381

IUPAC(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C14H27NO/c1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3/h7-8,11-12H,9-10H2,1-6H3,(H,15,16)/b8-7+
InChIKeyVDGJLEDCGQNKGO-BQYQJAHWSA-N
MW225.38 g/mol
LogP3.53
Rot. Bonds5

About (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide

(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide (PubChem CID 21366381) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide.

Molecular Properties

Compound Name(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide
PubChem CID21366381
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C14H27NO/c1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3/h7-8,11-12H,9-10H2,1-6H3,(H,15,16)/b8-7+
InChIKeyVDGJLEDCGQNKGO-BQYQJAHWSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide?
The IUPAC name of (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide (CID 21366381) is (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide.
What is the SMILES notation for (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide?
The canonical SMILES for (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide is C/C=C/CC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide?
The InChIKey is VDGJLEDCGQNKGO-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3/h7-8,11-12H,9-10H2,1-6H3,(H,15,16)/b8-7+.
What are the key properties of (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide?
(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide is sourced from PubChem (CID 21366381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).