2-(diethylaminomethyl)-N-hexan-2-ylaniline

C17H30N2 — CID 43787790

IUPAC2-(diethylaminomethyl)-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C17H30N2/c1-5-8-11-15(4)18-17-13-10-9-12-16(17)14-19(6-2)7-3/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3
InChIKeyZQOMMWKCNSDPMK-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.52
Rot. Bonds9

About 2-(diethylaminomethyl)-N-hexan-2-ylaniline

2-(diethylaminomethyl)-N-hexan-2-ylaniline (PubChem CID 43787790) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-hexan-2-ylaniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-hexan-2-ylaniline
PubChem CID43787790
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-(diethylaminomethyl)-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C17H30N2/c1-5-8-11-15(4)18-17-13-10-9-12-16(17)14-19(6-2)7-3/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3
InChIKeyZQOMMWKCNSDPMK-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylaminomethyl)-N-heptan-3-ylaniline
CID 63944362
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
N-hexan-2-ylnaphthalen-1-amine
CID 43757471
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
2-[2-(octan-2-ylamino)phenyl]acetamide
CID 43738518
2-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583785
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-hexan-2-ylaniline?
The IUPAC name of 2-(diethylaminomethyl)-N-hexan-2-ylaniline (CID 43787790) is 2-(diethylaminomethyl)-N-hexan-2-ylaniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-hexan-2-ylaniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-hexan-2-ylaniline is CCCCC(C)Nc1ccccc1CN(CC)CC.
What is the InChIKey of 2-(diethylaminomethyl)-N-hexan-2-ylaniline?
The InChIKey is ZQOMMWKCNSDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-8-11-15(4)18-17-13-10-9-12-16(17)14-19(6-2)7-3/h9-10,12-13,15,18H,5-8,11,14H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N-hexan-2-ylaniline?
2-(diethylaminomethyl)-N-hexan-2-ylaniline has a molecular weight of 262.44 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-hexan-2-ylaniline is sourced from PubChem (CID 43787790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).