4-methyl-N,N-bis(3-methylbutyl)aniline

C17H29N — CID 138414456

IUPAC4-methyl-N,N-bis(3-methylbutyl)aniline
SMILESCc1ccc(N(CCC(C)C)CCC(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)10-12-18(13-11-15(3)4)17-8-6-16(5)7-9-17/h6-9,14-15H,10-13H2,1-5H3
InChIKeyOTUVKZNBCQYFQI-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.89
Rot. Bonds7

About 4-methyl-N,N-bis(3-methylbutyl)aniline

4-methyl-N,N-bis(3-methylbutyl)aniline (PubChem CID 138414456) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-N,N-bis(3-methylbutyl)aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis(3-methylbutyl)aniline
PubChem CID138414456
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-N,N-bis(3-methylbutyl)aniline
SMILESCc1ccc(N(CCC(C)C)CCC(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)10-12-18(13-11-15(3)4)17-8-6-16(5)7-9-17/h6-9,14-15H,10-13H2,1-5H3
InChIKeyOTUVKZNBCQYFQI-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.89
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

4-[bis(3-methylbutyl)amino]phenol
CID 57012672
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-(aminomethyl)-N-(3-methylbutyl)-N-propylaniline
CID 43275905
2-[N-(2,2-dihydroxyethyl)-4-methylanilino]ethane-1,1-diol
CID 22255839
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
3-[4-tert-butyl-N-(3-methylbutyl)anilino]propanoic acid
CID 82319128
N,N-diheptyl-4-methylaniline
CID 20558578
ethane;4-methyl-N,N-dipentylaniline
CID 144729542
N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
CID 106450778
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
N,N-dimethyl-N'-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 58662077
3-[N-(2-hydroxypropyl)-4-methylanilino]propanoic acid
CID 60886015

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(3-methylbutyl)aniline?
The IUPAC name of 4-methyl-N,N-bis(3-methylbutyl)aniline (CID 138414456) is 4-methyl-N,N-bis(3-methylbutyl)aniline.
What is the SMILES notation for 4-methyl-N,N-bis(3-methylbutyl)aniline?
The canonical SMILES for 4-methyl-N,N-bis(3-methylbutyl)aniline is Cc1ccc(N(CCC(C)C)CCC(C)C)cc1.
What is the InChIKey of 4-methyl-N,N-bis(3-methylbutyl)aniline?
The InChIKey is OTUVKZNBCQYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)10-12-18(13-11-15(3)4)17-8-6-16(5)7-9-17/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of 4-methyl-N,N-bis(3-methylbutyl)aniline?
4-methyl-N,N-bis(3-methylbutyl)aniline has a molecular weight of 247.43 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(3-methylbutyl)aniline is sourced from PubChem (CID 138414456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).