N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide

C17H31NO — CID 126515952

IUPACN-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide
SMILESCCC1=CCC(C)(CCC(C)(CC)CCNC=O)C1
InChIInChI=1S/C17H31NO/c1-5-15-7-8-17(4,13-15)10-9-16(3,6-2)11-12-18-14-19/h7,14H,5-6,8-13H2,1-4H3,(H,18,19)
InChIKeyJGVJXISACFSYTR-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.46
Rot. Bonds9

About N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide

N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide (PubChem CID 126515952) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide.

Molecular Properties

Compound NameN-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide
PubChem CID126515952
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide
SMILESCCC1=CCC(C)(CCC(C)(CC)CCNC=O)C1
InChIInChI=1S/C17H31NO/c1-5-15-7-8-17(4,13-15)10-9-16(3,6-2)11-12-18-14-19/h7,14H,5-6,8-13H2,1-4H3,(H,18,19)
InChIKeyJGVJXISACFSYTR-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide?
The IUPAC name of N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide (CID 126515952) is N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide.
What is the SMILES notation for N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide?
The canonical SMILES for N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide is CCC1=CCC(C)(CCC(C)(CC)CCNC=O)C1.
What is the InChIKey of N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide?
The InChIKey is JGVJXISACFSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-15-7-8-17(4,13-15)10-9-16(3,6-2)11-12-18-14-19/h7,14H,5-6,8-13H2,1-4H3,(H,18,19).
What are the key properties of N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide?
N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide has a molecular weight of 265.44 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-(3-ethyl-1-methylcyclopent-3-en-1-yl)-3-methylpentyl]formamide is sourced from PubChem (CID 126515952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).