N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline

C15H26N2 — CID 62135727

IUPACN,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
SMILESCNCc1ccc(N(C)CCC(C)C)cc1C
InChIInChI=1S/C15H26N2/c1-12(2)8-9-17(5)15-7-6-14(11-16-4)13(3)10-15/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyVQMKXCMKBTZVKP-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.20
Rot. Bonds6

About N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline

N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline (PubChem CID 62135727) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline.

Molecular Properties

Compound NameN,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
PubChem CID62135727
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
SMILESCNCc1ccc(N(C)CCC(C)C)cc1C
InChIInChI=1S/C15H26N2/c1-12(2)8-9-17(5)15-7-6-14(11-16-4)13(3)10-15/h6-7,10,12,16H,8-9,11H2,1-5H3
InChIKeyVQMKXCMKBTZVKP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
CID 62135574
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
2-[N,3-dimethyl-4-(methylaminomethyl)anilino]acetamide
CID 62136541
N-butyl-N,3-dimethyl-4-[(propan-2-ylamino)methyl]aniline
CID 62135683
N-[(2-chlorophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62135377
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
N,3-dimethyl-N-(2-methylsulfanylethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 112662242
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016
N,3-dimethyl-4-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)aniline
CID 81057034
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline?
The IUPAC name of N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline (CID 62135727) is N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline.
What is the SMILES notation for N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline?
The canonical SMILES for N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline is CNCc1ccc(N(C)CCC(C)C)cc1C.
What is the InChIKey of N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline?
The InChIKey is VQMKXCMKBTZVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(2)8-9-17(5)15-7-6-14(11-16-4)13(3)10-15/h6-7,10,12,16H,8-9,11H2,1-5H3.
What are the key properties of N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline?
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline has a molecular weight of 234.39 g/mol, XLogP of 3.20, 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-(3-methylbutyl)aniline is sourced from PubChem (CID 62135727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).