N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline

C15H26N2 — CID 62119982

IUPACN,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccc(CNC)cc1C
InChIInChI=1S/C15H26N2/c1-6-14(7-2)17(5)15-9-8-13(11-16-4)10-12(15)3/h8-10,14,16H,6-7,11H2,1-5H3
InChIKeyGJDBVTDFQPDCBY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds6

About N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline

N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline (PubChem CID 62119982) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound NameN,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
PubChem CID62119982
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1ccc(CNC)cc1C
InChIInChI=1S/C15H26N2/c1-6-14(7-2)17(5)15-9-8-13(11-16-4)10-12(15)3/h8-10,14,16H,6-7,11H2,1-5H3
InChIKeyGJDBVTDFQPDCBY-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
4-(bromomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 107084998
2-[N-ethyl-2-methyl-4-(methylaminomethyl)anilino]-N,N-dimethylacetamide
CID 62120856
N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
CID 62284119
N-butan-2-yl-2-chloro-N-methyl-4-(methylaminomethyl)aniline
CID 81148692
N,2-dimethyl-4-(methylaminomethyl)-N-(4-methylcyclohexyl)aniline
CID 62122416
4-[(butan-2-ylamino)methyl]-N,N,2-trimethylaniline
CID 115890541
N,2-dimethyl-4-(methylaminomethyl)-N-(2-methylsulfanylethyl)aniline
CID 112662210
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline?
The IUPAC name of N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline (CID 62119982) is N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline.
What is the SMILES notation for N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline?
The canonical SMILES for N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline is CCC(CC)N(C)c1ccc(CNC)cc1C.
What is the InChIKey of N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline?
The InChIKey is GJDBVTDFQPDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-14(7-2)17(5)15-9-8-13(11-16-4)10-12(15)3/h8-10,14,16H,6-7,11H2,1-5H3.
What are the key properties of N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline?
N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(methylaminomethyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 62119982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).