2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline

C15H26N2 — CID 71246988

IUPAC2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline
SMILESCc1ccc(C(N)CCC(C)C)c(N(C)C)c1
InChIInChI=1S/C15H26N2/c1-11(2)6-9-14(16)13-8-7-12(3)10-15(13)17(4)5/h7-8,10-11,14H,6,9,16H2,1-5H3
InChIKeyGGMZCPIPDYMJIT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.50
Rot. Bonds5

About 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline

2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline (PubChem CID 71246988) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline.

Molecular Properties

Compound Name2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline
PubChem CID71246988
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline
SMILESCc1ccc(C(N)CCC(C)C)c(N(C)C)c1
InChIInChI=1S/C15H26N2/c1-11(2)6-9-14(16)13-8-7-12(3)10-15(13)17(4)5/h7-8,10-11,14H,6,9,16H2,1-5H3
InChIKeyGGMZCPIPDYMJIT-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
2-[amino-(5-methylfuran-2-yl)methyl]-N,N,5-trimethylaniline;hydrochloride
CID 135263451
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
1-[2-(dimethylamino)-4-methylphenyl]-2-(methylamino)ethanol
CID 117108211
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
4-[(1R)-1-amino-4-methylpentyl]benzene-1,3-diol
CID 171200136
1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethanamine
CID 43184437
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline?
The IUPAC name of 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline (CID 71246988) is 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline.
What is the SMILES notation for 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline?
The canonical SMILES for 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline is Cc1ccc(C(N)CCC(C)C)c(N(C)C)c1.
What is the InChIKey of 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline?
The InChIKey is GGMZCPIPDYMJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)6-9-14(16)13-8-7-12(3)10-15(13)17(4)5/h7-8,10-11,14H,6,9,16H2,1-5H3.
What are the key properties of 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline?
2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline has a molecular weight of 234.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-methylpentyl)-N,N,5-trimethylaniline is sourced from PubChem (CID 71246988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).