benzene-1,4-diamine;pentan-1-ol

C11H20N2O — CID 174707201

IUPACbenzene-1,4-diamine;pentan-1-ol
SMILESCCCCCO.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.C5H12O/c7-5-1-2-6(8)4-3-5;1-2-3-4-5-6/h1-4H,7-8H2;6H,2-5H2,1H3
InChIKeyUPPJNACNHXOUBG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.02
Rot. Bonds3

About benzene-1,4-diamine;pentan-1-ol

benzene-1,4-diamine;pentan-1-ol (PubChem CID 174707201) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is benzene-1,4-diamine;pentan-1-ol.

Molecular Properties

Compound Namebenzene-1,4-diamine;pentan-1-ol
PubChem CID174707201
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namebenzene-1,4-diamine;pentan-1-ol
SMILESCCCCCO.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.C5H12O/c7-5-1-2-6(8)4-3-5;1-2-3-4-5-6/h1-4H,7-8H2;6H,2-5H2,1H3
InChIKeyUPPJNACNHXOUBG-UHFFFAOYSA-N
XLogP2.02
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

benzene-1,4-diamine;hexane-1,6-diol
CID 139054112
heptan-1-ol;hydrazine
CID 159330416
hexan-1-ol;nonane
CID 175106830
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
gold;pentan-1-ol
CID 152701196
nickel;pentan-1-ol
CID 157287705
azane;tris(pentan-1-ol)
CID 175785399
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;pentan-1-ol?
The IUPAC name of benzene-1,4-diamine;pentan-1-ol (CID 174707201) is benzene-1,4-diamine;pentan-1-ol.
What is the SMILES notation for benzene-1,4-diamine;pentan-1-ol?
The canonical SMILES for benzene-1,4-diamine;pentan-1-ol is CCCCCO.Nc1ccc(N)cc1.
What is the InChIKey of benzene-1,4-diamine;pentan-1-ol?
The InChIKey is UPPJNACNHXOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C5H12O/c7-5-1-2-6(8)4-3-5;1-2-3-4-5-6/h1-4H,7-8H2;6H,2-5H2,1H3.
What are the key properties of benzene-1,4-diamine;pentan-1-ol?
benzene-1,4-diamine;pentan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;pentan-1-ol is sourced from PubChem (CID 174707201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).