N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane

C18H29N3O — CID 158449614

IUPACN,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane
SMILESC.C.CN(C)c1ccc(N=O)cc1.CN(C)c1ccccc1
InChIInChI=1S/C8H10N2O.C8H11N.2CH4/c1-10(2)8-5-3-7(9-11)4-6-8;1-9(2)8-6-4-3-5-7-8;;/h3-6H,1-2H3;3-7H,1-2H3;2*1H4
InChIKeyHDUXTUZBBDFNEA-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.18
Rot. Bonds3

About N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane

N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane (PubChem CID 158449614) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane.

Molecular Properties

Compound NameN,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane
PubChem CID158449614
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane
SMILESC.C.CN(C)c1ccc(N=O)cc1.CN(C)c1ccccc1
InChIInChI=1S/C8H10N2O.C8H11N.2CH4/c1-10(2)8-5-3-7(9-11)4-6-8;1-9(2)8-6-4-3-5-7-8;;/h3-6H,1-2H3;3-7H,1-2H3;2*1H4
InChIKeyHDUXTUZBBDFNEA-UHFFFAOYSA-N
XLogP5.18
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane?
The IUPAC name of N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane (CID 158449614) is N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane.
What is the SMILES notation for N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane?
The canonical SMILES for N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane is C.C.CN(C)c1ccc(N=O)cc1.CN(C)c1ccccc1.
What is the InChIKey of N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane?
The InChIKey is HDUXTUZBBDFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C8H11N.2CH4/c1-10(2)8-5-3-7(9-11)4-6-8;1-9(2)8-6-4-3-5-7-8;;/h3-6H,1-2H3;3-7H,1-2H3;2*1H4.
What are the key properties of N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane?
N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane has a molecular weight of 303.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;N,N-dimethyl-4-nitrosoaniline;methane is sourced from PubChem (CID 158449614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).