2-methyl-3-[[methyl(pentyl)amino]methyl]aniline

C14H24N2 — CID 43509178

IUPAC2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
SMILESCCCCCN(C)Cc1cccc(N)c1C
InChIInChI=1S/C14H24N2/c1-4-5-6-10-16(3)11-13-8-7-9-14(15)12(13)2/h7-9H,4-6,10-11,15H2,1-3H3
InChIKeyOLDNYOVKWHBQDL-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.20
Rot. Bonds6

About 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline

2-methyl-3-[[methyl(pentyl)amino]methyl]aniline (PubChem CID 43509178) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
PubChem CID43509178
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-methyl-3-[[methyl(pentyl)amino]methyl]aniline
SMILESCCCCCN(C)Cc1cccc(N)c1C
InChIInChI=1S/C14H24N2/c1-4-5-6-10-16(3)11-13-8-7-9-14(15)12(13)2/h7-9H,4-6,10-11,15H2,1-3H3
InChIKeyOLDNYOVKWHBQDL-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline (CID 43509178) is 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline is CCCCCN(C)Cc1cccc(N)c1C.
What is the InChIKey of 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline?
The InChIKey is OLDNYOVKWHBQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-6-10-16(3)11-13-8-7-9-14(15)12(13)2/h7-9H,4-6,10-11,15H2,1-3H3.
What are the key properties of 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline?
2-methyl-3-[[methyl(pentyl)amino]methyl]aniline has a molecular weight of 220.36 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 2-methyl-3-[[methyl(pentyl)amino]methyl]aniline is sourced from PubChem (CID 43509178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).