2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide

C14H27NO — CID 21366382

IUPAC2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(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/h7,11-12H,1,8-10H2,2-6H3,(H,15,16)
InChIKeyCFZKOGMXJAKFFN-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.53
Rot. Bonds6

About 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide

2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide (PubChem CID 21366382) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide
PubChem CID21366382
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(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/h7,11-12H,1,8-10H2,2-6H3,(H,15,16)
InChIKeyCFZKOGMXJAKFFN-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide (CID 21366382) is 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide is C=CCCC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide?
The InChIKey is CFZKOGMXJAKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-9-12(10-14(4,5)6)13(16)15-11(2)3/h7,11-12H,1,8-10H2,2-6H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide?
2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide is sourced from PubChem (CID 21366382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).