benzene-1,4-diamine;ethane;methane

C10H22N2 — CID 159498580

IUPACbenzene-1,4-diamine;ethane;methane
SMILESC.C.CC.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.C2H6.2CH4/c7-5-1-2-6(8)4-3-5;1-2;;/h1-4H,7-8H2;1-2H3;2*1H4
InChIKeyLZCBYRUDVOJGDT-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.15
Rot. Bonds

About benzene-1,4-diamine;ethane;methane

benzene-1,4-diamine;ethane;methane (PubChem CID 159498580) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is benzene-1,4-diamine;ethane;methane.

Molecular Properties

Compound Namebenzene-1,4-diamine;ethane;methane
PubChem CID159498580
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Namebenzene-1,4-diamine;ethane;methane
SMILESC.C.CC.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.C2H6.2CH4/c7-5-1-2-6(8)4-3-5;1-2;;/h1-4H,7-8H2;1-2H3;2*1H4
InChIKeyLZCBYRUDVOJGDT-UHFFFAOYSA-N
XLogP3.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;ethane;methane?
The IUPAC name of benzene-1,4-diamine;ethane;methane (CID 159498580) is benzene-1,4-diamine;ethane;methane.
What is the SMILES notation for benzene-1,4-diamine;ethane;methane?
The canonical SMILES for benzene-1,4-diamine;ethane;methane is C.C.CC.Nc1ccc(N)cc1.
What is the InChIKey of benzene-1,4-diamine;ethane;methane?
The InChIKey is LZCBYRUDVOJGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H6.2CH4/c7-5-1-2-6(8)4-3-5;1-2;;/h1-4H,7-8H2;1-2H3;2*1H4.
What are the key properties of benzene-1,4-diamine;ethane;methane?
benzene-1,4-diamine;ethane;methane has a molecular weight of 170.30 g/mol, XLogP of 3.15, 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;ethane;methane is sourced from PubChem (CID 159498580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).