2-(diethylaminomethyl)-N-heptan-3-ylaniline

C18H32N2 — CID 63944362

IUPAC2-(diethylaminomethyl)-N-heptan-3-ylaniline
SMILESCCCCC(CC)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C18H32N2/c1-5-9-13-17(6-2)19-18-14-11-10-12-16(18)15-20(7-3)8-4/h10-12,14,17,19H,5-9,13,15H2,1-4H3
InChIKeyUUNZPEXSQFKSNA-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.91
Rot. Bonds10

About 2-(diethylaminomethyl)-N-heptan-3-ylaniline

2-(diethylaminomethyl)-N-heptan-3-ylaniline (PubChem CID 63944362) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-N-heptan-3-ylaniline.

Molecular Properties

Compound Name2-(diethylaminomethyl)-N-heptan-3-ylaniline
PubChem CID63944362
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-(diethylaminomethyl)-N-heptan-3-ylaniline
SMILESCCCCC(CC)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C18H32N2/c1-5-9-13-17(6-2)19-18-14-11-10-12-16(18)15-20(7-3)8-4/h10-12,14,17,19H,5-9,13,15H2,1-4H3
InChIKeyUUNZPEXSQFKSNA-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
N-[[2-(2,2-diethylhydrazinyl)phenyl]methyl]-N-ethylethanamine
CID 101120062
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
N-undecan-3-ylaniline
CID 171755615
2-(octan-3-ylamino)benzamide
CID 151964869
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158
2-(diethylaminomethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928997
2-benzyl-N-pentan-3-ylaniline
CID 29272087

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-N-heptan-3-ylaniline?
The IUPAC name of 2-(diethylaminomethyl)-N-heptan-3-ylaniline (CID 63944362) is 2-(diethylaminomethyl)-N-heptan-3-ylaniline.
What is the SMILES notation for 2-(diethylaminomethyl)-N-heptan-3-ylaniline?
The canonical SMILES for 2-(diethylaminomethyl)-N-heptan-3-ylaniline is CCCCC(CC)Nc1ccccc1CN(CC)CC.
What is the InChIKey of 2-(diethylaminomethyl)-N-heptan-3-ylaniline?
The InChIKey is UUNZPEXSQFKSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-9-13-17(6-2)19-18-14-11-10-12-16(18)15-20(7-3)8-4/h10-12,14,17,19H,5-9,13,15H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-N-heptan-3-ylaniline?
2-(diethylaminomethyl)-N-heptan-3-ylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-N-heptan-3-ylaniline is sourced from PubChem (CID 63944362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).