ethane;N-pentylformamide

C8H19NO — CID 145350301

IUPACethane;N-pentylformamide
SMILESCC.CCCCCNC=O
InChIInChI=1S/C6H13NO.C2H6/c1-2-3-4-5-7-6-8;1-2/h6H,2-5H2,1H3,(H,7,8);1-2H3
InChIKeyIMXMEGDFOREVHQ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.95
Rot. Bonds5

About ethane;N-pentylformamide

ethane;N-pentylformamide (PubChem CID 145350301) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;N-pentylformamide.

Molecular Properties

Compound Nameethane;N-pentylformamide
PubChem CID145350301
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;N-pentylformamide
SMILESCC.CCCCCNC=O
InChIInChI=1S/C6H13NO.C2H6/c1-2-3-4-5-7-6-8;1-2/h6H,2-5H2,1H3,(H,7,8);1-2H3
InChIKeyIMXMEGDFOREVHQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.95
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'}

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Related Compounds

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(2S)-2-aminopropanoic acid;N-octylformamide
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N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
N-butylformamide;N'-methylethane-1,2-diamine
CID 142935984
N-(3,3-didecoxypropyl)formamide
CID 57283019
ethane;N-methylformamide;octane
CID 164590964

Frequently Asked Questions

What is the IUPAC name of ethane;N-pentylformamide?
The IUPAC name of ethane;N-pentylformamide (CID 145350301) is ethane;N-pentylformamide.
What is the SMILES notation for ethane;N-pentylformamide?
The canonical SMILES for ethane;N-pentylformamide is CC.CCCCCNC=O.
What is the InChIKey of ethane;N-pentylformamide?
The InChIKey is IMXMEGDFOREVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-2-3-4-5-7-6-8;1-2/h6H,2-5H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;N-pentylformamide?
ethane;N-pentylformamide has a molecular weight of 145.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pentylformamide is sourced from PubChem (CID 145350301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).