4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine

C16H21N3 — CID 58212339

IUPAC4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
SMILESNc1ccc(CCCCNc2ccc(N)cc2)cc1
InChIInChI=1S/C16H21N3/c17-14-6-4-13(5-7-14)3-1-2-12-19-16-10-8-15(18)9-11-16/h4-11,19H,1-3,12,17-18H2
InChIKeyBQHISDJFZBZNRI-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.29
Rot. Bonds6

About 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine

4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine (PubChem CID 58212339) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
PubChem CID58212339
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
SMILESNc1ccc(CCCCNc2ccc(N)cc2)cc1
InChIInChI=1S/C16H21N3/c17-14-6-4-13(5-7-14)3-1-2-12-19-16-10-8-15(18)9-11-16/h4-11,19H,1-3,12,17-18H2
InChIKeyBQHISDJFZBZNRI-UHFFFAOYSA-N
XLogP3.29
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.29
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

4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
CID 170212771
N-[4-(4-aminophenyl)butyl]-3-methylaniline
CID 94271013
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
4-[5-(4-aminophenyl)pentyl]aniline;methanesulfonic acid
CID 24833754
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
tris[3-(4-aminoanilino)propyl]-methylazanium
CID 163610108
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine (CID 58212339) is 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine is Nc1ccc(CCCCNc2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine?
The InChIKey is BQHISDJFZBZNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-14-6-4-13(5-7-14)3-1-2-12-19-16-10-8-15(18)9-11-16/h4-11,19H,1-3,12,17-18H2.
What are the key properties of 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine?
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine is sourced from PubChem (CID 58212339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).