1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine

C17H28N2O — CID 134600168

IUPAC1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O/c1-16(2,3)13-9-12(11-19(7)8)10-14(15(13)18-20)17(4,5)6/h9-10H,11H2,1-8H3
InChIKeyWHFBBKHMGYVLEM-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.74
Rot. Bonds3

About 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine

1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine (PubChem CID 134600168) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine
PubChem CID134600168
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O/c1-16(2,3)13-9-12(11-19(7)8)10-14(15(13)18-20)17(4,5)6/h9-10H,11H2,1-8H3
InChIKeyWHFBBKHMGYVLEM-UHFFFAOYSA-N
XLogP4.74
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol;2,6-ditert-butyl-4-(ethylaminomethyl)phenol;chloride
CID 160526279
6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-nitrosophenyl)propanoate
CID 142899910
3-(3,5-ditert-butyl-4-nitrosophenyl)-1-(3-methyl-1H-pyrrol-2-yl)propan-1-one
CID 155000336
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
heptyl 3,5-ditert-butyl-4-nitrosobenzoate
CID 166942407
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
1-[4-[(3,5-dimethyl-4-nitroso-1H-pyrazol-2-ium-2-yl)methyl]phenyl]-N,N-dimethylmethanamine
CID 144865414
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
CID 70823665
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine (CID 134600168) is 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine is CN(C)Cc1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1.
What is the InChIKey of 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine?
The InChIKey is WHFBBKHMGYVLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2,3)13-9-12(11-19(7)8)10-14(15(13)18-20)17(4,5)6/h9-10H,11H2,1-8H3.
What are the key properties of 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine?
1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine has a molecular weight of 276.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butyl-4-nitrosophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 134600168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).