ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine

C14H38N2O2 — CID 142059546

IUPACethane;formic acid;methane;2-pyrrolidin-2-ylethanamine
SMILESC.CC.CC.CC.NCCC1CCCN1.O=CO
InChIInChI=1S/C6H14N2.3C2H6.CH2O2.CH4/c7-4-3-6-2-1-5-8-6;3*1-2;2-1-3;/h6,8H,1-5,7H2;3*1-2H3;1H,(H,2,3);1H4
InChIKeyYFKQBDZUXJRQHQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.50
Rot. Bonds2

About ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine

ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine (PubChem CID 142059546) has the molecular formula C14H38N2O2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Nameethane;formic acid;methane;2-pyrrolidin-2-ylethanamine
PubChem CID142059546
Molecular FormulaC14H38N2O2
Molecular Weight266.47 g/mol
Exact Mass266.29
IUPAC Nameethane;formic acid;methane;2-pyrrolidin-2-ylethanamine
SMILESC.CC.CC.CC.NCCC1CCCN1.O=CO
InChIInChI=1S/C6H14N2.3C2H6.CH2O2.CH4/c7-4-3-6-2-1-5-8-6;3*1-2;2-1-3;/h6,8H,1-5,7H2;3*1-2H3;1H,(H,2,3);1H4
InChIKeyYFKQBDZUXJRQHQ-UHFFFAOYSA-N
XLogP3.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine?
The IUPAC name of ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine (CID 142059546) is ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine?
The canonical SMILES for ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine is C.CC.CC.CC.NCCC1CCCN1.O=CO.
What is the InChIKey of ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine?
The InChIKey is YFKQBDZUXJRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.3C2H6.CH2O2.CH4/c7-4-3-6-2-1-5-8-6;3*1-2;2-1-3;/h6,8H,1-5,7H2;3*1-2H3;1H,(H,2,3);1H4.
What are the key properties of ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine?
ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 142059546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).