N,N-dibutyl-3-methylaniline

C15H25N — CID 15332677

IUPACN,N-dibutyl-3-methylaniline
SMILESCCCCN(CCCC)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-4-6-11-16(12-7-5-2)15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3
InChIKeyMUKJUKMSNRJVBD-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.40
Rot. Bonds7

About N,N-dibutyl-3-methylaniline

N,N-dibutyl-3-methylaniline (PubChem CID 15332677) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N-dibutyl-3-methylaniline.

Molecular Properties

Compound NameN,N-dibutyl-3-methylaniline
PubChem CID15332677
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,N-dibutyl-3-methylaniline
SMILESCCCCN(CCCC)c1cccc(C)c1
InChIInChI=1S/C15H25N/c1-4-6-11-16(12-7-5-2)15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3
InChIKeyMUKJUKMSNRJVBD-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
CID 138691667
CID 138691667
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
sodium 3-(N-dodecyl-3-methylanilino)propane-1-sulfonate
CID 45049445
ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
N,N-dibutyl-3-ethenylaniline
CID 66742864
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
2-[3-(dibutylamino)phenyl]ethanol
CID 101199746
1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine
CID 61077134

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methylaniline?
The IUPAC name of N,N-dibutyl-3-methylaniline (CID 15332677) is N,N-dibutyl-3-methylaniline.
What is the SMILES notation for N,N-dibutyl-3-methylaniline?
The canonical SMILES for N,N-dibutyl-3-methylaniline is CCCCN(CCCC)c1cccc(C)c1.
What is the InChIKey of N,N-dibutyl-3-methylaniline?
The InChIKey is MUKJUKMSNRJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-11-16(12-7-5-2)15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3.
What are the key properties of N,N-dibutyl-3-methylaniline?
N,N-dibutyl-3-methylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methylaniline is sourced from PubChem (CID 15332677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).