4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline

C16H28N2 — CID 55237009

IUPAC4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)CC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-14(17)11-13-7-9-15(10-8-13)18(5)12-16(2,3)4/h7-10,14H,6,11-12,17H2,1-5H3
InChIKeyNTIJIGZOOVQOQA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.45
Rot. Bonds5

About 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline

4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline (PubChem CID 55237009) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
PubChem CID55237009
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)CC(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-14(17)11-13-7-9-15(10-8-13)18(5)12-16(2,3)4/h7-10,14H,6,11-12,17H2,1-5H3
InChIKeyNTIJIGZOOVQOQA-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 63794551
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
4-(2-aminobutyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112666727
4-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55236410
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377
CID 123427442
CID 123427442
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361
2-methyl-1-[N-methyl-4-(2-methylpropyl)anilino]propan-2-ol
CID 115136839
N-[4-(2-aminobutyl)phenyl]-3-fluoro-N-methylaniline
CID 63817579

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline (CID 55237009) is 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline is CCC(N)Cc1ccc(N(C)CC(C)(C)C)cc1.
What is the InChIKey of 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
The InChIKey is NTIJIGZOOVQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-14(17)11-13-7-9-15(10-8-13)18(5)12-16(2,3)4/h7-10,14H,6,11-12,17H2,1-5H3.
What are the key properties of 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline?
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline is sourced from PubChem (CID 55237009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).