4-[1-(dimethylamino)butyl]-N-methylaniline

C13H22N2 — CID 116907068

IUPAC4-[1-(dimethylamino)butyl]-N-methylaniline
SMILESCCCC(c1ccc(NC)cc1)N(C)C
InChIInChI=1S/C13H22N2/c1-5-6-13(15(3)4)11-7-9-12(14-2)10-8-11/h7-10,13-14H,5-6H2,1-4H3
InChIKeyFLAJCRHEWHJXKE-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.13
Rot. Bonds5

About 4-[1-(dimethylamino)butyl]-N-methylaniline

4-[1-(dimethylamino)butyl]-N-methylaniline (PubChem CID 116907068) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[1-(dimethylamino)butyl]-N-methylaniline.

Molecular Properties

Compound Name4-[1-(dimethylamino)butyl]-N-methylaniline
PubChem CID116907068
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[1-(dimethylamino)butyl]-N-methylaniline
SMILESCCCC(c1ccc(NC)cc1)N(C)C
InChIInChI=1S/C13H22N2/c1-5-6-13(15(3)4)11-7-9-12(14-2)10-8-11/h7-10,13-14H,5-6H2,1-4H3
InChIKeyFLAJCRHEWHJXKE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
CID 143571463
4-butan-2-yl-N-methylaniline
CID 22675641
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
1,2-diphenyl-1-(1-phenylbutyl)hydrazine
CID 10852907
1-(4-butan-2-ylphenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907542
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907526
1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
CID 116905803
4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
1-[4-(methylamino)phenyl]butane-1,4-diamine
CID 66819791

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)butyl]-N-methylaniline?
The IUPAC name of 4-[1-(dimethylamino)butyl]-N-methylaniline (CID 116907068) is 4-[1-(dimethylamino)butyl]-N-methylaniline.
What is the SMILES notation for 4-[1-(dimethylamino)butyl]-N-methylaniline?
The canonical SMILES for 4-[1-(dimethylamino)butyl]-N-methylaniline is CCCC(c1ccc(NC)cc1)N(C)C.
What is the InChIKey of 4-[1-(dimethylamino)butyl]-N-methylaniline?
The InChIKey is FLAJCRHEWHJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-13(15(3)4)11-7-9-12(14-2)10-8-11/h7-10,13-14H,5-6H2,1-4H3.
What are the key properties of 4-[1-(dimethylamino)butyl]-N-methylaniline?
4-[1-(dimethylamino)butyl]-N-methylaniline has a molecular weight of 206.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)butyl]-N-methylaniline is sourced from PubChem (CID 116907068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).