benzene-1,4-diamine;methane

C7H12N2 — CID 158825195

IUPACbenzene-1,4-diamine;methane
SMILESC.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.CH4/c7-5-1-2-6(8)4-3-5;/h1-4H,7-8H2;1H4
InChIKeySLTFFOPQXIXCOO-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.49
Rot. Bonds

About benzene-1,4-diamine;methane

benzene-1,4-diamine;methane (PubChem CID 158825195) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is benzene-1,4-diamine;methane.

Molecular Properties

Compound Namebenzene-1,4-diamine;methane
PubChem CID158825195
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Namebenzene-1,4-diamine;methane
SMILESC.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.CH4/c7-5-1-2-6(8)4-3-5;/h1-4H,7-8H2;1H4
InChIKeySLTFFOPQXIXCOO-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diamine;ethane;methane
CID 159498580
benzene-1,4-diamine;nickel
CID 87271840
azane;benzene-1,4-diamine;dihydrochloride
CID 70409738
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-aminobenzenethiol
CID 159011943
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
benzene-1,4-diamine;butane
CID 67434753
CID 57424296
CID 57424296
(4-aminophenyl) thiohypofluorite;methane
CID 142188389
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;methane?
The IUPAC name of benzene-1,4-diamine;methane (CID 158825195) is benzene-1,4-diamine;methane.
What is the SMILES notation for benzene-1,4-diamine;methane?
The canonical SMILES for benzene-1,4-diamine;methane is C.Nc1ccc(N)cc1.
What is the InChIKey of benzene-1,4-diamine;methane?
The InChIKey is SLTFFOPQXIXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.CH4/c7-5-1-2-6(8)4-3-5;/h1-4H,7-8H2;1H4.
What are the key properties of benzene-1,4-diamine;methane?
benzene-1,4-diamine;methane has a molecular weight of 124.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;methane is sourced from PubChem (CID 158825195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).