4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline

C34H56N2 — CID 151636757

IUPAC4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline
SMILESCCCCCCCCCC(c1cc(C(C)C)c(N)c(C(C)C)c1)c1cc(C(C)C)c(N)c(C(C)C)c1
InChIInChI=1S/C34H56N2/c1-10-11-12-13-14-15-16-17-28(26-18-29(22(2)3)33(35)30(19-26)23(4)5)27-20-31(24(6)7)34(36)32(21-27)25(8)9/h18-25,28H,10-17,35-36H2,1-9H3
InChIKeyQRQXGRMWGXXELM-UHFFFAOYSA-N
MW492.84 g/mol
LogP10.62
Rot. Bonds14

About 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline

4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline (PubChem CID 151636757) has the molecular formula C34H56N2 and a molecular weight of 492.84 g/mol. Its IUPAC name is 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline
PubChem CID151636757
Molecular FormulaC34H56N2
Molecular Weight492.84 g/mol
Exact Mass492.44
IUPAC Name4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline
SMILESCCCCCCCCCC(c1cc(C(C)C)c(N)c(C(C)C)c1)c1cc(C(C)C)c(N)c(C(C)C)c1
InChIInChI=1S/C34H56N2/c1-10-11-12-13-14-15-16-17-28(26-18-29(22(2)3)33(35)30(19-26)23(4)5)27-20-31(24(6)7)34(36)32(21-27)25(8)9/h18-25,28H,10-17,35-36H2,1-9H3
InChIKeyQRQXGRMWGXXELM-UHFFFAOYSA-N
XLogP10.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.84
LogP ≤ 510.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)octyl]-6-propan-2-ylphenol
CID 139968357
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
4-[1-[4-[1-[4-[1-(4-aminophenyl)undecyl]phenyl]ethyl]phenyl]undecyl]aniline
CID 22921087
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)dodecyl]phenyl]dodecyl]phenyl]dodecyl]-3-methylaniline
CID 22919074
4-[1-(4-aminophenyl)hexyl]-2,6-dipropylaniline
CID 22753054
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]hexyl]phenyl]undecyl]-3-methylaniline
CID 22919040
1-phenyldecan-1-amine
CID 43175860
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline (CID 151636757) is 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline is CCCCCCCCCC(c1cc(C(C)C)c(N)c(C(C)C)c1)c1cc(C(C)C)c(N)c(C(C)C)c1.
What is the InChIKey of 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is QRQXGRMWGXXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N2/c1-10-11-12-13-14-15-16-17-28(26-18-29(22(2)3)33(35)30(19-26)23(4)5)27-20-31(24(6)7)34(36)32(21-27)25(8)9/h18-25,28H,10-17,35-36H2,1-9H3.
What are the key properties of 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline?
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 492.84 g/mol, XLogP of 10.62, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 151636757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).