4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline

C16H28N2O — CID 55236025

IUPAC4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)CCCOC)cc1C
InChIInChI=1S/C16H28N2O/c1-5-15(17)12-14-7-8-16(11-13(14)2)18(3)9-6-10-19-4/h7-8,11,15H,5-6,9-10,12,17H2,1-4H3
InChIKeyGSEQHIQCFWUKIV-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.75
Rot. Bonds8

About 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline

4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline (PubChem CID 55236025) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
PubChem CID55236025
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
SMILESCCC(N)Cc1ccc(N(C)CCCOC)cc1C
InChIInChI=1S/C16H28N2O/c1-5-15(17)12-14-7-8-16(11-13(14)2)18(3)9-6-10-19-4/h7-8,11,15H,5-6,9-10,12,17H2,1-4H3
InChIKeyGSEQHIQCFWUKIV-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
4-(2-aminobutyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795900
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
N-butyl-4-[(2-methoxyethylamino)methyl]-N,3-dimethylaniline
CID 63060156
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315
4-(2-aminobutyl)-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115988039
4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63815146
2-(2-aminobutyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63815111
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 63815618
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline (CID 55236025) is 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline is CCC(N)Cc1ccc(N(C)CCCOC)cc1C.
What is the InChIKey of 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
The InChIKey is GSEQHIQCFWUKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-15(17)12-14-7-8-16(11-13(14)2)18(3)9-6-10-19-4/h7-8,11,15H,5-6,9-10,12,17H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline?
4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline has a molecular weight of 264.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-(3-methoxypropyl)-N,3-dimethylaniline is sourced from PubChem (CID 55236025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).