benzene-1,4-diamine;butane

C10H18N2 — CID 67434753

IUPACbenzene-1,4-diamine;butane
SMILESCCCC.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.C4H10/c7-5-1-2-6(8)4-3-5;1-3-4-2/h1-4H,7-8H2;3-4H2,1-2H3
InChIKeyOJBXSOSRSBUFDU-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.66
Rot. Bonds1

About benzene-1,4-diamine;butane

benzene-1,4-diamine;butane (PubChem CID 67434753) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is benzene-1,4-diamine;butane.

Molecular Properties

Compound Namebenzene-1,4-diamine;butane
PubChem CID67434753
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Namebenzene-1,4-diamine;butane
SMILESCCCC.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.C4H10/c7-5-1-2-6(8)4-3-5;1-3-4-2/h1-4H,7-8H2;3-4H2,1-2H3
InChIKeyOJBXSOSRSBUFDU-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.66
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

4-aminophenol;butane;methanamine
CID 145479199
benzene-1,4-diamine;ethane;methane
CID 159498580
benzene-1,4-diamine;pentan-1-ol
CID 174707201
4-ethylaniline;hydrobromide
CID 86059477
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
butane;ethyl 4-aminobenzoate
CID 67389405
4-triethylsilylaniline
CID 19811066
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-hexadecylaniline
CID 571906
4-dodecylaniline;nonadecane
CID 155059812

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;butane?
The IUPAC name of benzene-1,4-diamine;butane (CID 67434753) is benzene-1,4-diamine;butane.
What is the SMILES notation for benzene-1,4-diamine;butane?
The canonical SMILES for benzene-1,4-diamine;butane is CCCC.Nc1ccc(N)cc1.
What is the InChIKey of benzene-1,4-diamine;butane?
The InChIKey is OJBXSOSRSBUFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C4H10/c7-5-1-2-6(8)4-3-5;1-3-4-2/h1-4H,7-8H2;3-4H2,1-2H3.
What are the key properties of benzene-1,4-diamine;butane?
benzene-1,4-diamine;butane has a molecular weight of 166.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;butane is sourced from PubChem (CID 67434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).