1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine

C26H30N6 — CID 167106796

IUPAC1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C26H30N6/c1-2-5-26(27)20-6-8-21(9-7-20)28-29-22-10-12-23(13-11-22)30-31-24-14-16-25(17-15-24)32-18-3-4-19-32/h6-17,26H,2-5,18-19,27H2,1H3/b29-28+,31-30+
InChIKeyRKIPLOCSQQTNBV-DUJDKOHPSA-N
MW426.57 g/mol
LogP7.92
Rot. Bonds8

About 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine

1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine (PubChem CID 167106796) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine
PubChem CID167106796
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1
InChIInChI=1S/C26H30N6/c1-2-5-26(27)20-6-8-21(9-7-20)28-29-22-10-12-23(13-11-22)30-31-24-14-16-25(17-15-24)32-18-3-4-19-32/h6-17,26H,2-5,18-19,27H2,1H3/b29-28+,31-30+
InChIKeyRKIPLOCSQQTNBV-DUJDKOHPSA-N
XLogP7.92
TPSA78.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.57
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
phenyl-[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazene
CID 19011238
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
butyl 4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 129101711
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine?
The IUPAC name of 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine (CID 167106796) is 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine.
What is the SMILES notation for 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine?
The canonical SMILES for 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine is CCCC(N)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine?
The InChIKey is RKIPLOCSQQTNBV-DUJDKOHPSA-N. The full InChI is InChI=1S/C26H30N6/c1-2-5-26(27)20-6-8-21(9-7-20)28-29-22-10-12-23(13-11-22)30-31-24-14-16-25(17-15-24)32-18-3-4-19-32/h6-17,26H,2-5,18-19,27H2,1H3/b29-28+,31-30+.
What are the key properties of 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine?
1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine has a molecular weight of 426.57 g/mol, XLogP of 7.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine is sourced from PubChem (CID 167106796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).