4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline

C17H28N2O — CID 63817565

IUPAC4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(C)CC2CCCO2)c(C)c1
InChIInChI=1S/C17H28N2O/c1-4-15(18)11-14-7-8-17(13(2)10-14)19(3)12-16-6-5-9-20-16/h7-8,10,15-16H,4-6,9,11-12,18H2,1-3H3
InChIKeyZOMCEZGBKPOJEI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds6

About 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline

4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 63817565) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID63817565
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(C)CC2CCCO2)c(C)c1
InChIInChI=1S/C17H28N2O/c1-4-15(18)11-14-7-8-17(13(2)10-14)19(3)12-16-6-5-9-20-16/h7-8,10,15-16H,4-6,9,11-12,18H2,1-3H3
InChIKeyZOMCEZGBKPOJEI-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
2-(2-aminobutyl)-4-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861239
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060808
4-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817545
1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
CID 102917685
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63795040

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline (CID 63817565) is 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline is CCC(N)Cc1ccc(N(C)CC2CCCO2)c(C)c1.
What is the InChIKey of 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is ZOMCEZGBKPOJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15(18)11-14-7-8-17(13(2)10-14)19(3)12-16-6-5-9-20-16/h7-8,10,15-16H,4-6,9,11-12,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline?
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 63817565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).