N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline

C17H28N2 — CID 55034710

IUPACN-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCCC1
InChIInChI=1S/C17H28N2/c1-3-19(4-2)14-16-11-7-8-12-17(16)18-13-15-9-5-6-10-15/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3
InChIKeyHLVZGJKMPVGPDX-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds7

About N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline

N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline (PubChem CID 55034710) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
PubChem CID55034710
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NCC1CCCC1
InChIInChI=1S/C17H28N2/c1-3-19(4-2)14-16-11-7-8-12-17(16)18-13-15-9-5-6-10-15/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3
InChIKeyHLVZGJKMPVGPDX-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylaminomethyl)-N-(oxan-4-ylmethyl)aniline
CID 62386684
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658648
N-(cyclopropylmethyl)-2-[(dimethylamino)methyl]aniline
CID 43750217
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
2-(diethylaminomethyl)-N-(2,6-dimethylcyclohexyl)aniline
CID 43729304
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-(diethylaminomethyl)-N-heptylaniline
CID 43729328
N'-tert-butyl-N-[2-(diethylaminomethyl)phenyl]ethane-1,2-diamine
CID 107445154

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline?
The IUPAC name of N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline (CID 55034710) is N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline?
The canonical SMILES for N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline is CCN(CC)Cc1ccccc1NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline?
The InChIKey is HLVZGJKMPVGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-19(4-2)14-16-11-7-8-12-17(16)18-13-15-9-5-6-10-15/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline?
N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(diethylaminomethyl)aniline is sourced from PubChem (CID 55034710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).