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

C15H26N2 — CID 62134513

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

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

N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline (PubChem CID 62134513) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline.

Molecular Properties

Compound NameN,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
PubChem CID62134513
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
SMILESCCCC(C)N(C)c1ccc(CNC)c(C)c1
InChIInChI=1S/C15H26N2/c1-6-7-13(3)17(5)15-9-8-14(11-16-4)12(2)10-15/h8-10,13,16H,6-7,11H2,1-5H3
InChIKeyUHRFVSYIDHMOMW-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'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
CID 62910764
N-butyl-N,3-dimethyl-4-[(propan-2-ylamino)methyl]aniline
CID 62135683
4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
CID 62135055
N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
CID 62136236
4-(aminomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 62128610
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
CID 63551530
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline?
The IUPAC name of N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline (CID 62134513) is N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline.
What is the SMILES notation for N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline?
The canonical SMILES for N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline is CCCC(C)N(C)c1ccc(CNC)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline?
The InChIKey is UHRFVSYIDHMOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-7-13(3)17(5)15-9-8-14(11-16-4)12(2)10-15/h8-10,13,16H,6-7,11H2,1-5H3.
What are the key properties of N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline?
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-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,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline is sourced from PubChem (CID 62134513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).