N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline

C18H30N2 — CID 62633352

IUPACN-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NC(C)C1CCCC1
InChIInChI=1S/C18H30N2/c1-4-20(5-2)14-17-12-8-9-13-18(17)19-15(3)16-10-6-7-11-16/h8-9,12-13,15-16,19H,4-7,10-11,14H2,1-3H3
InChIKeyCEBKKPJXQSLOOE-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.52
Rot. Bonds7

About N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline

N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline (PubChem CID 62633352) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
PubChem CID62633352
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NC(C)C1CCCC1
InChIInChI=1S/C18H30N2/c1-4-20(5-2)14-17-12-8-9-13-18(17)19-15(3)16-10-6-7-11-16/h8-9,12-13,15-16,19H,4-7,10-11,14H2,1-3H3
InChIKeyCEBKKPJXQSLOOE-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
CID 55034710
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
N-(1-cyclopentylethyl)-2-prop-2-enylsulfanylaniline
CID 55191581
N-[2-(diethylaminomethyl)phenyl]oxolan-3-amine
CID 63335462
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
CID 43729304
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline?
The IUPAC name of N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline (CID 62633352) is N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline is CCN(CC)Cc1ccccc1NC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline?
The InChIKey is CEBKKPJXQSLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(5-2)14-17-12-8-9-13-18(17)19-15(3)16-10-6-7-11-16/h8-9,12-13,15-16,19H,4-7,10-11,14H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline?
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline has a molecular weight of 274.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline is sourced from PubChem (CID 62633352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).