ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene

C15H27NO — CID 143709608

IUPACethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene
SMILESCC.CCNC=O.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C10H14.C3H7NO.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-3-5;1-2/h4-8H,1-3H3;3H,2H2,1H3,(H,4,5);1-2H3
InChIKeyRJEYYSWSUDOUAE-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.90
Rot. Bonds3

About ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene

ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene (PubChem CID 143709608) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene
PubChem CID143709608
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene
SMILESCC.CCNC=O.Cc1ccc(C(C)C)cc1
InChIInChI=1S/C10H14.C3H7NO.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-3-5;1-2/h4-8H,1-3H3;3H,2H2,1H3,(H,4,5);1-2H3
InChIKeyRJEYYSWSUDOUAE-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene?
The IUPAC name of ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene (CID 143709608) is ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene is CC.CCNC=O.Cc1ccc(C(C)C)cc1.
What is the InChIKey of ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene?
The InChIKey is RJEYYSWSUDOUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H7NO.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-3-5;1-2/h4-8H,1-3H3;3H,2H2,1H3,(H,4,5);1-2H3.
What are the key properties of ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene?
ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene has a molecular weight of 237.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylformamide;1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 143709608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).