N,4-dimethyl-N-propylaniline

C11H17N — CID 14671247

IUPACN,4-dimethyl-N-propylaniline
SMILESCCCN(C)c1ccc(C)cc1
InChIInChI=1S/C11H17N/c1-4-9-12(3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3
InChIKeyHNIRMWZQRJUUJN-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.84
Rot. Bonds3

About N,4-dimethyl-N-propylaniline

N,4-dimethyl-N-propylaniline (PubChem CID 14671247) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,4-dimethyl-N-propylaniline.

Molecular Properties

Compound NameN,4-dimethyl-N-propylaniline
PubChem CID14671247
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,4-dimethyl-N-propylaniline
SMILESCCCN(C)c1ccc(C)cc1
InChIInChI=1S/C11H17N/c1-4-9-12(3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3
InChIKeyHNIRMWZQRJUUJN-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N-ethyl-N,4-dimethylaniline
CID 3036494
4-fluoro-N-methyl-N-propylaniline
CID 23197529
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114
N-butyl-N-methyl-4-[2-(4-methylphenyl)ethenyl]aniline
CID 67935384
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 58662077
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 43281892
4-(N,4-dimethylanilino)butanal
CID 145026678

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-propylaniline?
The IUPAC name of N,4-dimethyl-N-propylaniline (CID 14671247) is N,4-dimethyl-N-propylaniline.
What is the SMILES notation for N,4-dimethyl-N-propylaniline?
The canonical SMILES for N,4-dimethyl-N-propylaniline is CCCN(C)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-propylaniline?
The InChIKey is HNIRMWZQRJUUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-9-12(3)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3.
What are the key properties of N,4-dimethyl-N-propylaniline?
N,4-dimethyl-N-propylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-propylaniline is sourced from PubChem (CID 14671247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).