ethane;methanamine;2-methylaniline

C12H26N2 — CID 91356397

IUPACethane;methanamine;2-methylaniline
SMILESCC.CC.CN.Cc1ccccc1N
InChIInChI=1S/C7H9N.2C2H6.CH5N/c1-6-4-2-3-5-7(6)8;3*1-2/h2-5H,8H2,1H3;2*1-2H3;2H2,1H3
InChIKeyHPTYYDDECMADFZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.20
Rot. Bonds

About ethane;methanamine;2-methylaniline

ethane;methanamine;2-methylaniline (PubChem CID 91356397) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;methanamine;2-methylaniline.

Molecular Properties

Compound Nameethane;methanamine;2-methylaniline
PubChem CID91356397
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;methanamine;2-methylaniline
SMILESCC.CC.CN.Cc1ccccc1N
InChIInChI=1S/C7H9N.2C2H6.CH5N/c1-6-4-2-3-5-7(6)8;3*1-2/h2-5H,8H2,1H3;2*1-2H3;2H2,1H3
InChIKeyHPTYYDDECMADFZ-UHFFFAOYSA-N
XLogP3.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-Toluidine
CID 7242
4,4-Diaminodiphenylmethane
CID 7577
2,4-Diaminotoluene
CID 7261
o-Tolidine
CID 8413
p-Toluidine
CID 7813
2,4-Dimethylaniline
CID 7250
2,6-Diaminotoluene
CID 13205
2,3-Diaminotoluene
CID 17593
2,5-Diaminotoluene
CID 7252
2-Aminobiphenyl
CID 7015
3,5-Dimethylaniline
CID 7949
2,5-Dimethylaniline
CID 7259

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-methylaniline?
The IUPAC name of ethane;methanamine;2-methylaniline (CID 91356397) is ethane;methanamine;2-methylaniline.
What is the SMILES notation for ethane;methanamine;2-methylaniline?
The canonical SMILES for ethane;methanamine;2-methylaniline is CC.CC.CN.Cc1ccccc1N.
What is the InChIKey of ethane;methanamine;2-methylaniline?
The InChIKey is HPTYYDDECMADFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C2H6.CH5N/c1-6-4-2-3-5-7(6)8;3*1-2/h2-5H,8H2,1H3;2*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-methylaniline?
ethane;methanamine;2-methylaniline has a molecular weight of 198.35 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-methylaniline is sourced from PubChem (CID 91356397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).