N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline

C15H26N2 — CID 105138453

IUPACN,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
SMILESCCC(C)CC(NC)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-12(2)11-15(16-3)13-7-9-14(10-8-13)17(4)5/h7-10,12,15-16H,6,11H2,1-5H3
InChIKeyYXBGYIMIWCVOKL-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.45
Rot. Bonds6

About N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline

N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline (PubChem CID 105138453) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
PubChem CID105138453
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline
SMILESCCC(C)CC(NC)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2/c1-6-12(2)11-15(16-3)13-7-9-14(10-8-13)17(4)5/h7-10,12,15-16H,6,11H2,1-5H3
InChIKeyYXBGYIMIWCVOKL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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

1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
CID 107293609
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
4-[2-(4-iodophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152002
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
4-N,4-N-dimethyl-1-N-[(2S)-2-methylbutyl]benzene-1,4-diamine
CID 93225665

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline (CID 105138453) is N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline is CCC(C)CC(NC)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline?
The InChIKey is YXBGYIMIWCVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-12(2)11-15(16-3)13-7-9-14(10-8-13)17(4)5/h7-10,12,15-16H,6,11H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline?
N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-methyl-1-(methylamino)pentyl]aniline is sourced from PubChem (CID 105138453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).