ethane;formaldehyde;N-methylethanamine;pentane

C13H35NO — CID 153349294

IUPACethane;formaldehyde;N-methylethanamine;pentane
SMILESC=O.CC.CC.CCCCC.CCNC
InChIInChI=1S/C5H12.C3H9N.2C2H6.CH2O/c1-3-5-4-2;1-3-4-2;3*1-2/h3-5H2,1-2H3;4H,3H2,1-2H3;2*1-2H3;1H2
InChIKeyPUXOWHOWWNZQPN-UHFFFAOYSA-N
MW221.43 g/mol
LogP4.29
Rot. Bonds3

About ethane;formaldehyde;N-methylethanamine;pentane

ethane;formaldehyde;N-methylethanamine;pentane (PubChem CID 153349294) has the molecular formula C13H35NO and a molecular weight of 221.43 g/mol. Its IUPAC name is ethane;formaldehyde;N-methylethanamine;pentane.

Molecular Properties

Compound Nameethane;formaldehyde;N-methylethanamine;pentane
PubChem CID153349294
Molecular FormulaC13H35NO
Molecular Weight221.43 g/mol
Exact Mass221.27
IUPAC Nameethane;formaldehyde;N-methylethanamine;pentane
SMILESC=O.CC.CC.CCCCC.CCNC
InChIInChI=1S/C5H12.C3H9N.2C2H6.CH2O/c1-3-5-4-2;1-3-4-2;3*1-2/h3-5H2,1-2H3;4H,3H2,1-2H3;2*1-2H3;1H2
InChIKeyPUXOWHOWWNZQPN-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N-methylethanamine;pentane?
The IUPAC name of ethane;formaldehyde;N-methylethanamine;pentane (CID 153349294) is ethane;formaldehyde;N-methylethanamine;pentane.
What is the SMILES notation for ethane;formaldehyde;N-methylethanamine;pentane?
The canonical SMILES for ethane;formaldehyde;N-methylethanamine;pentane is C=O.CC.CC.CCCCC.CCNC.
What is the InChIKey of ethane;formaldehyde;N-methylethanamine;pentane?
The InChIKey is PUXOWHOWWNZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H9N.2C2H6.CH2O/c1-3-5-4-2;1-3-4-2;3*1-2/h3-5H2,1-2H3;4H,3H2,1-2H3;2*1-2H3;1H2.
What are the key properties of ethane;formaldehyde;N-methylethanamine;pentane?
ethane;formaldehyde;N-methylethanamine;pentane has a molecular weight of 221.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N-methylethanamine;pentane is sourced from PubChem (CID 153349294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).