3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline

C16H28N2 — CID 58467917

IUPAC3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline
SMILESCCC(CCc1cccc(NC)c1)CC(C)CN
InChIInChI=1S/C16H28N2/c1-4-14(10-13(2)12-17)8-9-15-6-5-7-16(11-15)18-3/h5-7,11,13-14,18H,4,8-10,12,17H2,1-3H3
InChIKeyVOEYXUGUPNAFTO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.67
Rot. Bonds8

About 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline

3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline (PubChem CID 58467917) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline.

Molecular Properties

Compound Name3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline
PubChem CID58467917
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline
SMILESCCC(CCc1cccc(NC)c1)CC(C)CN
InChIInChI=1S/C16H28N2/c1-4-14(10-13(2)12-17)8-9-15-6-5-7-16(11-15)18-3/h5-7,11,13-14,18H,4,8-10,12,17H2,1-3H3
InChIKeyVOEYXUGUPNAFTO-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-ethyl-5-methyl-7-(3-methylphenyl)heptyl]pyridin-2-amine
CID 58467868
3-(aminomethyl)-N-methylaniline;ethane;molecular hydrogen
CID 144618265
3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
CID 153398401
2-(aminomethyl)-4-ethyl-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 69267994
4-ethyl-2-methylheptane-1,7-diamine
CID 18353547
3-(bromomethyl)-N-methylaniline
CID 147410245
3-(3-ethylhexyl)benzaldehyde;N-methylpropan-2-amine
CID 143277794
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
N,5-dimethyl-1-(3-methylphenyl)heptan-3-amine
CID 105138418
4-[3-(aminomethyl)-6-(3-hydroxyphenyl)-5-methylhexyl]benzene-1,2-diol
CID 143701812
3-[4-amino-3-(aminomethyl)butyl]phenol
CID 83930255
(3S,5R)-3-(aminomethyl)-7-(3-fluorophenyl)-5-methylheptanoic acid
CID 53241288

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline?
The IUPAC name of 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline (CID 58467917) is 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline.
What is the SMILES notation for 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline?
The canonical SMILES for 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline is CCC(CCc1cccc(NC)c1)CC(C)CN.
What is the InChIKey of 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline?
The InChIKey is VOEYXUGUPNAFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-14(10-13(2)12-17)8-9-15-6-5-7-16(11-15)18-3/h5-7,11,13-14,18H,4,8-10,12,17H2,1-3H3.
What are the key properties of 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline?
3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-ethyl-5-methylhexyl)-N-methylaniline is sourced from PubChem (CID 58467917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).