N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine

C15H22N2 — CID 66519183

IUPACN-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
SMILESCCNc1ccc2c(c1[C@@H]1CCCN1)CCC2
InChIInChI=1S/C15H22N2/c1-2-16-14-9-8-11-5-3-6-12(11)15(14)13-7-4-10-17-13/h8-9,13,16-17H,2-7,10H2,1H3/t13-/m0/s1
InChIKeyXUPPWRBXLJJODM-ZDUSSCGKSA-N
MW230.35 g/mol
LogP3.03
Rot. Bonds3

About N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine

N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 66519183) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
PubChem CID66519183
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
SMILESCCNc1ccc2c(c1[C@@H]1CCCN1)CCC2
InChIInChI=1S/C15H22N2/c1-2-16-14-9-8-11-5-3-6-12(11)15(14)13-7-4-10-17-13/h8-9,13,16-17H,2-7,10H2,1H3/t13-/m0/s1
InChIKeyXUPPWRBXLJJODM-ZDUSSCGKSA-N
XLogP3.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine
CID 66518533
2-(5-methoxy-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 77131665
(2R)-2-(2,3-dihydro-1H-cyclopenta[a]naphthalen-8-yl)pyrrolidine
CID 66519507
(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
CID 66519369
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2-(2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3-yl)pyrrolidine
CID 84772078
2-(2-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)piperidine
CID 117474234
2-(7-bromo-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 84711652
(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 66519043
(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519431
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine (CID 66519183) is N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine is CCNc1ccc2c(c1[C@@H]1CCCN1)CCC2.
What is the InChIKey of N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is XUPPWRBXLJJODM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-16-14-9-8-11-5-3-6-12(11)15(14)13-7-4-10-17-13/h8-9,13,16-17H,2-7,10H2,1H3/t13-/m0/s1.
What are the key properties of N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine?
N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 230.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 66519183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).