N,4-dibutyl-N-methylaniline

C15H25N — CID 118183375

IUPACN,4-dibutyl-N-methylaniline
SMILESCCCCc1ccc(N(C)CCCC)cc1
InChIInChI=1S/C15H25N/c1-4-6-8-14-9-11-15(12-10-14)16(3)13-7-5-2/h9-12H,4-8,13H2,1-3H3
InChIKeySBNZIQKPWHKNSF-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.27
Rot. Bonds7

About N,4-dibutyl-N-methylaniline

N,4-dibutyl-N-methylaniline (PubChem CID 118183375) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,4-dibutyl-N-methylaniline.

Molecular Properties

Compound NameN,4-dibutyl-N-methylaniline
PubChem CID118183375
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,4-dibutyl-N-methylaniline
SMILESCCCCc1ccc(N(C)CCCC)cc1
InChIInChI=1S/C15H25N/c1-4-6-8-14-9-11-15(12-10-14)16(3)13-7-5-2/h9-12H,4-8,13H2,1-3H3
InChIKeySBNZIQKPWHKNSF-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.27
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

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N,4-dibutyl-N-octylaniline
CID 175203597
4-heptyl-N,N-dimethylaniline
CID 20777180
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-heptyl-N,N-bis(phosphanyl)aniline
CID 169286189

Frequently Asked Questions

What is the IUPAC name of N,4-dibutyl-N-methylaniline?
The IUPAC name of N,4-dibutyl-N-methylaniline (CID 118183375) is N,4-dibutyl-N-methylaniline.
What is the SMILES notation for N,4-dibutyl-N-methylaniline?
The canonical SMILES for N,4-dibutyl-N-methylaniline is CCCCc1ccc(N(C)CCCC)cc1.
What is the InChIKey of N,4-dibutyl-N-methylaniline?
The InChIKey is SBNZIQKPWHKNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-8-14-9-11-15(12-10-14)16(3)13-7-5-2/h9-12H,4-8,13H2,1-3H3.
What are the key properties of N,4-dibutyl-N-methylaniline?
N,4-dibutyl-N-methylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibutyl-N-methylaniline is sourced from PubChem (CID 118183375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).