4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline

C17H24N2 — CID 150513996

IUPAC4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline
SMILESCC1=CC=CC(C)(Cc2cc(C)c(N)c(C)c2)C1N
InChIInChI=1S/C17H24N2/c1-11-6-5-7-17(4,16(11)19)10-14-8-12(2)15(18)13(3)9-14/h5-9,16H,10,18-19H2,1-4H3
InChIKeyIALFHNSWTNGKGB-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.28
Rot. Bonds2

About 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline

4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline (PubChem CID 150513996) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline
PubChem CID150513996
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline
SMILESCC1=CC=CC(C)(Cc2cc(C)c(N)c(C)c2)C1N
InChIInChI=1S/C17H24N2/c1-11-6-5-7-17(4,16(11)19)10-14-8-12(2)15(18)13(3)9-14/h5-9,16H,10,18-19H2,1-4H3
InChIKeyIALFHNSWTNGKGB-UHFFFAOYSA-N
XLogP3.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline (CID 150513996) is 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline is CC1=CC=CC(C)(Cc2cc(C)c(N)c(C)c2)C1N.
What is the InChIKey of 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline?
The InChIKey is IALFHNSWTNGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11-6-5-7-17(4,16(11)19)10-14-8-12(2)15(18)13(3)9-14/h5-9,16H,10,18-19H2,1-4H3.
What are the key properties of 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline?
4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline has a molecular weight of 256.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 150513996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).