ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide

C18H42N2O2 — CID 142367464

IUPACethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
SMILESCC.CC.CCOCCCCCN1CCCCC1.CNC=O
InChIInChI=1S/C12H25NO.C2H5NO.2C2H6/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13;1-3-2-4;2*1-2/h2-12H2,1H3;2H,1H3,(H,3,4);2*1-2H3
InChIKeyQILJVRNVCIAQDV-UHFFFAOYSA-N
MW318.55 g/mol
LogP4.09
Rot. Bonds8

About ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide

ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide (PubChem CID 142367464) has the molecular formula C18H42N2O2 and a molecular weight of 318.55 g/mol. Its IUPAC name is ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide.

Molecular Properties

Compound Nameethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
PubChem CID142367464
Molecular FormulaC18H42N2O2
Molecular Weight318.55 g/mol
Exact Mass318.32
IUPAC Nameethane;1-(5-ethoxypentyl)piperidine;N-methylformamide
SMILESCC.CC.CCOCCCCCN1CCCCC1.CNC=O
InChIInChI=1S/C12H25NO.C2H5NO.2C2H6/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13;1-3-2-4;2*1-2/h2-12H2,1H3;2H,1H3,(H,3,4);2*1-2H3
InChIKeyQILJVRNVCIAQDV-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(2-ethoxyethoxy)propoxy]ethyl]piperidine;N-methylformamide
CID 171081654
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
1-(2-ethoxyethyl)piperidine
CID 22622871
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
3-[3-ethoxypropyl(2-piperidin-1-ylethyl)amino]propanoic acid
CID 82330337
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
1-(2-ethoxyethyl)-N-methylpiperidine-4-carboxamide
CID 134055126
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide?
The IUPAC name of ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide (CID 142367464) is ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide.
What is the SMILES notation for ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide?
The canonical SMILES for ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide is CC.CC.CCOCCCCCN1CCCCC1.CNC=O.
What is the InChIKey of ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide?
The InChIKey is QILJVRNVCIAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C2H5NO.2C2H6/c1-2-14-12-8-4-7-11-13-9-5-3-6-10-13;1-3-2-4;2*1-2/h2-12H2,1H3;2H,1H3,(H,3,4);2*1-2H3.
What are the key properties of ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide?
ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide has a molecular weight of 318.55 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-ethoxypentyl)piperidine;N-methylformamide is sourced from PubChem (CID 142367464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).