1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one

C17H33NO — CID 176977304

IUPAC1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one
SMILESCC=CC(C)(NCC(=O)C(C)C)C(CC)CCCC
InChIInChI=1S/C17H33NO/c1-7-10-11-15(9-3)17(6,12-8-2)18-13-16(19)14(4)5/h8,12,14-15,18H,7,9-11,13H2,1-6H3
InChIKeyFCHINUYYCUKUNR-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.35
Rot. Bonds10

About 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one

1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one (PubChem CID 176977304) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one
PubChem CID176977304
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one
SMILESCC=CC(C)(NCC(=O)C(C)C)C(CC)CCCC
InChIInChI=1S/C17H33NO/c1-7-10-11-15(9-3)17(6,12-8-2)18-13-16(19)14(4)5/h8,12,14-15,18H,7,9-11,13H2,1-6H3
InChIKeyFCHINUYYCUKUNR-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one?
The IUPAC name of 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one (CID 176977304) is 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one?
The canonical SMILES for 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one is CC=CC(C)(NCC(=O)C(C)C)C(CC)CCCC.
What is the InChIKey of 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one?
The InChIKey is FCHINUYYCUKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-7-10-11-15(9-3)17(6,12-8-2)18-13-16(19)14(4)5/h8,12,14-15,18H,7,9-11,13H2,1-6H3.
What are the key properties of 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one?
1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one has a molecular weight of 267.46 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-4-methylnon-2-en-4-yl)amino]-3-methylbutan-2-one is sourced from PubChem (CID 176977304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).