N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline

C18H28N2 — CID 63503063

IUPACN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCCC1C1CCCC1
InChIInChI=1S/C18H28N2/c1-15-7-2-5-10-17(15)19-12-14-20-13-6-11-18(20)16-8-3-4-9-16/h2,5,7,10,16,18-19H,3-4,6,8-9,11-14H2,1H3
InChIKeyBKQHCBVEEBVZNR-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline

N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline (PubChem CID 63503063) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
PubChem CID63503063
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCN1CCCC1C1CCCC1
InChIInChI=1S/C18H28N2/c1-15-7-2-5-10-17(15)19-12-14-20-13-6-11-18(20)16-8-3-4-9-16/h2,5,7,10,16,18-19H,3-4,6,8-9,11-14H2,1H3
InChIKeyBKQHCBVEEBVZNR-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-2-methylaniline
CID 62557391
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-2-bromoaniline
CID 82752272
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82750298
2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
CID 114597196
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-2-methylaniline
CID 62560224
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylethanamine
CID 65320984
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62558638
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
CID 62574960
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline
CID 163266206
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 102728609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline (CID 63503063) is N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline is Cc1ccccc1NCCN1CCCC1C1CCCC1.
What is the InChIKey of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
The InChIKey is BKQHCBVEEBVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-7-2-5-10-17(15)19-12-14-20-13-6-11-18(20)16-8-3-4-9-16/h2,5,7,10,16,18-19H,3-4,6,8-9,11-14H2,1H3.
What are the key properties of N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline?
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline has a molecular weight of 272.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline is sourced from PubChem (CID 63503063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).