benzene-1,4-diamine;dodecane-1,12-diamine

C18H36N4 — CID 159242261

IUPACbenzene-1,4-diamine;dodecane-1,12-diamine
SMILESNCCCCCCCCCCCCN.Nc1ccc(N)cc1
InChIInChI=1S/C12H28N2.C6H8N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;7-5-1-2-6(8)4-3-5/h1-14H2;1-4H,7-8H2
InChIKeyKUFYIDJQNGORKV-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.66
Rot. Bonds11

About benzene-1,4-diamine;dodecane-1,12-diamine

benzene-1,4-diamine;dodecane-1,12-diamine (PubChem CID 159242261) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is benzene-1,4-diamine;dodecane-1,12-diamine.

Molecular Properties

Compound Namebenzene-1,4-diamine;dodecane-1,12-diamine
PubChem CID159242261
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Namebenzene-1,4-diamine;dodecane-1,12-diamine
SMILESNCCCCCCCCCCCCN.Nc1ccc(N)cc1
InChIInChI=1S/C12H28N2.C6H8N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;7-5-1-2-6(8)4-3-5/h1-14H2;1-4H,7-8H2
InChIKeyKUFYIDJQNGORKV-UHFFFAOYSA-N
XLogP3.66
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;dodecane-1,12-diamine?
The IUPAC name of benzene-1,4-diamine;dodecane-1,12-diamine (CID 159242261) is benzene-1,4-diamine;dodecane-1,12-diamine.
What is the SMILES notation for benzene-1,4-diamine;dodecane-1,12-diamine?
The canonical SMILES for benzene-1,4-diamine;dodecane-1,12-diamine is NCCCCCCCCCCCCN.Nc1ccc(N)cc1.
What is the InChIKey of benzene-1,4-diamine;dodecane-1,12-diamine?
The InChIKey is KUFYIDJQNGORKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2.C6H8N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;7-5-1-2-6(8)4-3-5/h1-14H2;1-4H,7-8H2.
What are the key properties of benzene-1,4-diamine;dodecane-1,12-diamine?
benzene-1,4-diamine;dodecane-1,12-diamine has a molecular weight of 308.51 g/mol, XLogP of 3.66, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;dodecane-1,12-diamine is sourced from PubChem (CID 159242261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).