N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide

C16H30N2O — CID 146437443

IUPACN-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide
SMILESC/C=C(\C=C/N)NC(=O)C(C)(C)CC(C)(CC)CC
InChIInChI=1S/C16H30N2O/c1-7-13(10-11-17)18-14(19)15(4,5)12-16(6,8-2)9-3/h7,10-11H,8-9,12,17H2,1-6H3,(H,18,19)/b11-10-,13-7+
InChIKeyJUZJPKHGYVONTK-PCGFSOLGSA-N
MW266.43 g/mol
LogP3.72
Rot. Bonds7

About N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide

N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide (PubChem CID 146437443) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide.

Molecular Properties

Compound NameN-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide
PubChem CID146437443
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide
SMILESC/C=C(\C=C/N)NC(=O)C(C)(C)CC(C)(CC)CC
InChIInChI=1S/C16H30N2O/c1-7-13(10-11-17)18-14(19)15(4,5)12-16(6,8-2)9-3/h7,10-11H,8-9,12,17H2,1-6H3,(H,18,19)/b11-10-,13-7+
InChIKeyJUZJPKHGYVONTK-PCGFSOLGSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide?
The IUPAC name of N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide (CID 146437443) is N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide.
What is the SMILES notation for N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide?
The canonical SMILES for N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide is C/C=C(\C=C/N)NC(=O)C(C)(C)CC(C)(CC)CC.
What is the InChIKey of N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide?
The InChIKey is JUZJPKHGYVONTK-PCGFSOLGSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-13(10-11-17)18-14(19)15(4,5)12-16(6,8-2)9-3/h7,10-11H,8-9,12,17H2,1-6H3,(H,18,19)/b11-10-,13-7+.
What are the key properties of N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide?
N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide has a molecular weight of 266.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]-4-ethyl-2,2,4-trimethylhexanamide is sourced from PubChem (CID 146437443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).