trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride

C13H17Cl3N2 — CID 118994206

IUPACtrans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CC[C@@H](c2c[nH]c3c(Cl)cccc23)C1
InChIInChI=1S/C13H15ClN2.2ClH/c14-12-3-1-2-10-11(7-16-13(10)12)8-4-5-9(15)6-8;;/h1-3,7-9,16H,4-6,15H2;2*1H/t8-,9-;;/m1../s1
InChIKeyPVDJDYUPGDPFEU-UONRGADFSA-N
MW307.65 g/mol
LogP4.26
Rot. Bonds1

About trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride

trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride (PubChem CID 118994206) has the molecular formula C13H17Cl3N2 and a molecular weight of 307.65 g/mol. Its IUPAC name is trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride
PubChem CID118994206
Molecular FormulaC13H17Cl3N2
Molecular Weight307.65 g/mol
Exact Mass306.05
IUPAC Nametrans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CC[C@@H](c2c[nH]c3c(Cl)cccc23)C1
InChIInChI=1S/C13H15ClN2.2ClH/c14-12-3-1-2-10-11(7-16-13(10)12)8-4-5-9(15)6-8;;/h1-3,7-9,16H,4-6,15H2;2*1H/t8-,9-;;/m1../s1
InChIKeyPVDJDYUPGDPFEU-UONRGADFSA-N
XLogP4.26
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-3-piperidin-4-yl-1H-indole
CID 12072036
trans-(1R,2S)-2-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;hydrochloride
CID 22884178
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
7-bromo-3-(3-methylcyclopentyl)-1H-indole
CID 106985334
(5R)-5-(7-chloro-1H-indol-3-yl)imidazolidine-2,4-dione
CID 125485004
7-methyl-3-(3-methylcyclopentyl)-1H-indole
CID 106985330
3-(2-chloro-4-iodophenyl)cyclopentan-1-amine
CID 130045782
4-(3-aminocyclopentyl)-3-chlorophenol
CID 130045784
7-bromo-3-(4-methylcyclohexyl)-1H-indole
CID 106985061
7-chloro-3-(2-cyclopentylethyl)-1H-indole
CID 106984980
7-methyl-3-(4-methylcyclohexyl)-1H-indole
CID 106985057

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride?
The IUPAC name of trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride (CID 118994206) is trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride.
What is the SMILES notation for trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride?
The canonical SMILES for trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride is Cl.Cl.N[C@@H]1CC[C@@H](c2c[nH]c3c(Cl)cccc23)C1.
What is the InChIKey of trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride?
The InChIKey is PVDJDYUPGDPFEU-UONRGADFSA-N. The full InChI is InChI=1S/C13H15ClN2.2ClH/c14-12-3-1-2-10-11(7-16-13(10)12)8-4-5-9(15)6-8;;/h1-3,7-9,16H,4-6,15H2;2*1H/t8-,9-;;/m1../s1.
What are the key properties of trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride?
trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride has a molecular weight of 307.65 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(7-chloro-1H-indol-3-yl)cyclopentan-1-amine;dihydrochloride is sourced from PubChem (CID 118994206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).