N,N-dimethyl-3-[1-(methylamino)hexyl]aniline

C15H26N2 — CID 105129661

IUPACN,N-dimethyl-3-[1-(methylamino)hexyl]aniline
SMILESCCCCCC(NC)c1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2/c1-5-6-7-11-15(16-2)13-9-8-10-14(12-13)17(3)4/h8-10,12,15-16H,5-7,11H2,1-4H3
InChIKeyLSMMMJHXWSTTMG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.59
Rot. Bonds7

About N,N-dimethyl-3-[1-(methylamino)hexyl]aniline

N,N-dimethyl-3-[1-(methylamino)hexyl]aniline (PubChem CID 105129661) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(methylamino)hexyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(methylamino)hexyl]aniline
PubChem CID105129661
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N-dimethyl-3-[1-(methylamino)hexyl]aniline
SMILESCCCCCC(NC)c1cccc(N(C)C)c1
InChIInChI=1S/C15H26N2/c1-5-6-7-11-15(16-2)13-9-8-10-14(12-13)17(3)4/h8-10,12,15-16H,5-7,11H2,1-4H3
InChIKeyLSMMMJHXWSTTMG-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydrazinylheptyl)-N,N-dimethylaniline
CID 105293942
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
3-[1-(ethylamino)butyl]-N,N-dimethylaniline
CID 105080535
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N,N-dimethyl-3-[1-(propylamino)butyl]aniline
CID 105080148
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(methylamino)hexyl]aniline?
The IUPAC name of N,N-dimethyl-3-[1-(methylamino)hexyl]aniline (CID 105129661) is N,N-dimethyl-3-[1-(methylamino)hexyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[1-(methylamino)hexyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[1-(methylamino)hexyl]aniline is CCCCCC(NC)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[1-(methylamino)hexyl]aniline?
The InChIKey is LSMMMJHXWSTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-7-11-15(16-2)13-9-8-10-14(12-13)17(3)4/h8-10,12,15-16H,5-7,11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(methylamino)hexyl]aniline?
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(methylamino)hexyl]aniline is sourced from PubChem (CID 105129661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).