2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline

C15H24N2 — CID 43460982

IUPAC2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
SMILESCC(C)CCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H24N2/c1-12(2)9-10-17(14-7-8-14)11-13-5-3-4-6-15(13)16/h3-6,12,14H,7-11,16H2,1-2H3
InChIKeyRJMXCBHYLJANOR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline

2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline (PubChem CID 43460982) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
PubChem CID43460982
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
SMILESCC(C)CCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H24N2/c1-12(2)9-10-17(14-7-8-14)11-13-5-3-4-6-15(13)16/h3-6,12,14H,7-11,16H2,1-2H3
InChIKeyRJMXCBHYLJANOR-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methylaniline
CID 78973865
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
4-chloro-3-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 78973855
2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
CID 106453568
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-pentan-2-ylacetamide
CID 61489764
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
2-[3-[cyclopentyl(2-methylpropyl)amino]propyl]aniline
CID 107274552

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline (CID 43460982) is 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline is CC(C)CCN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline?
The InChIKey is RJMXCBHYLJANOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)9-10-17(14-7-8-14)11-13-5-3-4-6-15(13)16/h3-6,12,14H,7-11,16H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline?
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline is sourced from PubChem (CID 43460982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).