butane;ethane;N-methylaniline

C13H25N — CID 143420786

IUPACbutane;ethane;N-methylaniline
SMILESCC.CCCC.CNc1ccccc1
InChIInChI=1S/C7H9N.C4H10.C2H6/c1-8-7-5-3-2-4-6-7;1-3-4-2;1-2/h2-6,8H,1H3;3-4H2,1-2H3;1-2H3
InChIKeyVQNVCEBEHHAVOY-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.56
Rot. Bonds2

About butane;ethane;N-methylaniline

butane;ethane;N-methylaniline (PubChem CID 143420786) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is butane;ethane;N-methylaniline.

Molecular Properties

Compound Namebutane;ethane;N-methylaniline
PubChem CID143420786
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Namebutane;ethane;N-methylaniline
SMILESCC.CCCC.CNc1ccccc1
InChIInChI=1S/C7H9N.C4H10.C2H6/c1-8-7-5-3-2-4-6-7;1-3-4-2;1-2/h2-6,8H,1H3;3-4H2,1-2H3;1-2H3
InChIKeyVQNVCEBEHHAVOY-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 157283458
CID 157283458
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
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magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
N,N-dimethylbutan-1-amine;N-methylaniline
CID 174844053
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CID 23460316
N-methylaniline;piperazine
CID 157393585
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CID 23221751
ethane;N-methyl-4-phenyldiazenylaniline
CID 90785372
N-propylaniline
CID 12153
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CID 146292904
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CID 154418549

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-methylaniline?
The IUPAC name of butane;ethane;N-methylaniline (CID 143420786) is butane;ethane;N-methylaniline.
What is the SMILES notation for butane;ethane;N-methylaniline?
The canonical SMILES for butane;ethane;N-methylaniline is CC.CCCC.CNc1ccccc1.
What is the InChIKey of butane;ethane;N-methylaniline?
The InChIKey is VQNVCEBEHHAVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H10.C2H6/c1-8-7-5-3-2-4-6-7;1-3-4-2;1-2/h2-6,8H,1H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;N-methylaniline?
butane;ethane;N-methylaniline has a molecular weight of 195.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;N-methylaniline is sourced from PubChem (CID 143420786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).