N-(2,3-dimethylbutyl)-2-propan-2-ylaniline

C15H25N — CID 150228795

IUPACN-(2,3-dimethylbutyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCC(C)C(C)C
InChIInChI=1S/C15H25N/c1-11(2)13(5)10-16-15-9-7-6-8-14(15)12(3)4/h6-9,11-13,16H,10H2,1-5H3
InChIKeyVMAOVKFDFNYCNY-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.51
Rot. Bonds5

About N-(2,3-dimethylbutyl)-2-propan-2-ylaniline

N-(2,3-dimethylbutyl)-2-propan-2-ylaniline (PubChem CID 150228795) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-propan-2-ylaniline
PubChem CID150228795
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(2,3-dimethylbutyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCC(C)C(C)C
InChIInChI=1S/C15H25N/c1-11(2)13(5)10-16-15-9-7-6-8-14(15)12(3)4/h6-9,11-13,16H,10H2,1-5H3
InChIKeyVMAOVKFDFNYCNY-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N-(2-phenoxypropyl)-2-propan-2-ylaniline
CID 54800400
2-(2-propan-2-ylanilino)ethanol
CID 28574084
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
3,3,3-trifluoro-2-[(2-propan-2-ylanilino)methyl]propanenitrile
CID 103366917
2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60896734
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
N-pentyl-2-propan-2-ylaniline
CID 29268175
4-(2-propan-2-ylanilino)butan-1-ol
CID 54803429
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-propan-2-ylaniline?
The IUPAC name of N-(2,3-dimethylbutyl)-2-propan-2-ylaniline (CID 150228795) is N-(2,3-dimethylbutyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-propan-2-ylaniline is CC(C)c1ccccc1NCC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-propan-2-ylaniline?
The InChIKey is VMAOVKFDFNYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)13(5)10-16-15-9-7-6-8-14(15)12(3)4/h6-9,11-13,16H,10H2,1-5H3.
What are the key properties of N-(2,3-dimethylbutyl)-2-propan-2-ylaniline?
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-propan-2-ylaniline is sourced from PubChem (CID 150228795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).