N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine

C18H28N2 — CID 62615234

IUPACN-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCC(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-2-19-18-10-6-9-17(18)14-20-12-11-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyRRTIKKUMBOOGML-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.25
Rot. Bonds5

About N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine

N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 62615234) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
PubChem CID62615234
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCC(c2ccccc2)C1
InChIInChI=1S/C18H28N2/c1-2-19-18-10-6-9-17(18)14-20-12-11-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3
InChIKeyRRTIKKUMBOOGML-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(ethylamino)cyclopentyl]methyl]-3-methylpiperidin-4-ol
CID 114681897
N-methyl-2-[2-(3-phenylpyrrolidin-1-yl)ethyl]cyclopentan-1-amine
CID 79565241
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-ethylcyclopentan-1-amine
CID 63193082
[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 141194204
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-ethylcyclohexan-1-amine
CID 113336166
1-[1-[[2-(ethylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629110
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
CID 62133940
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine (CID 62615234) is N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine is CCNC1CCCC1CN1CCC(c2ccccc2)C1.
What is the InChIKey of N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is RRTIKKUMBOOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-19-18-10-6-9-17(18)14-20-12-11-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,16-19H,2,6,9-14H2,1H3.
What are the key properties of N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine?
N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-phenylpyrrolidin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62615234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).