ethane;2-(methylideneamino)aniline

C13H26N2 — CID 177015010

IUPACethane;2-(methylideneamino)aniline
SMILESC=Nc1ccccc1N.CC.CC.CC
InChIInChI=1S/C7H8N2.3C2H6/c1-9-7-5-3-2-4-6(7)8;3*1-2/h2-5H,1,8H2;3*1-2H3
InChIKeyUXCNBSKLBOKIDJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.68
Rot. Bonds1

About ethane;2-(methylideneamino)aniline

ethane;2-(methylideneamino)aniline (PubChem CID 177015010) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;2-(methylideneamino)aniline.

Molecular Properties

Compound Nameethane;2-(methylideneamino)aniline
PubChem CID177015010
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;2-(methylideneamino)aniline
SMILESC=Nc1ccccc1N.CC.CC.CC
InChIInChI=1S/C7H8N2.3C2H6/c1-9-7-5-3-2-4-6(7)8;3*1-2/h2-5H,1,8H2;3*1-2H3
InChIKeyUXCNBSKLBOKIDJ-UHFFFAOYSA-N
XLogP4.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 21144076
CID 21144076
2-(aminodiazenyl)aniline
CID 18792571
ethane;N-(2-prop-1-en-2-ylphenyl)methanimine
CID 145330488
N-(2-aminophenyl)methanimidoyl iodide
CID 88582390
2-[(2-aminophenyl)diazenyl]-4-methylaniline
CID 118232962
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
2-(methylideneamino)-5-[3-(methylideneamino)-4-phenylphenyl]aniline
CID 142858878
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
N-[2-(4-methylphenyl)phenyl]methanimine
CID 54308926
N-(2-propylphenyl)methanimine
CID 126659165
4-[3-amino-4-(methylideneamino)phenyl]-2-(benzylideneamino)aniline
CID 130374140

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylideneamino)aniline?
The IUPAC name of ethane;2-(methylideneamino)aniline (CID 177015010) is ethane;2-(methylideneamino)aniline.
What is the SMILES notation for ethane;2-(methylideneamino)aniline?
The canonical SMILES for ethane;2-(methylideneamino)aniline is C=Nc1ccccc1N.CC.CC.CC.
What is the InChIKey of ethane;2-(methylideneamino)aniline?
The InChIKey is UXCNBSKLBOKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.3C2H6/c1-9-7-5-3-2-4-6(7)8;3*1-2/h2-5H,1,8H2;3*1-2H3.
What are the key properties of ethane;2-(methylideneamino)aniline?
ethane;2-(methylideneamino)aniline has a molecular weight of 210.36 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylideneamino)aniline is sourced from PubChem (CID 177015010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).