1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine

C13H15BrN2 — CID 82378614

IUPAC1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
SMILESNC1(c2cc3c(Br)cccc3[nH]2)CCCC1
InChIInChI=1S/C13H15BrN2/c14-10-4-3-5-11-9(10)8-12(16-11)13(15)6-1-2-7-13/h3-5,8,16H,1-2,6-7,15H2
InChIKeyCPJDLNUDPAPLFR-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.66
Rot. Bonds1

About 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine

1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine (PubChem CID 82378614) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
PubChem CID82378614
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
SMILESNC1(c2cc3c(Br)cccc3[nH]2)CCCC1
InChIInChI=1S/C13H15BrN2/c14-10-4-3-5-11-9(10)8-12(16-11)13(15)6-1-2-7-13/h3-5,8,16H,1-2,6-7,15H2
InChIKeyCPJDLNUDPAPLFR-UHFFFAOYSA-N
XLogP3.66
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-2-yl)cyclobutan-1-amine
CID 82602362
4-bromo-2-chloro-1H-indole
CID 19700309
1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopentan-1-amine
CID 117424144
4-bromo-2-(bromomethyl)-1H-indole
CID 133062048
4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
CID 146125241
1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclohexan-1-amine
CID 117453561
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
4-bromo-2-(chloromethyl)-1H-indole
CID 133054456
1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine
CID 117416509
(4-bromo-1H-indol-2-yl) ethyl carbonate
CID 129158532
2-[6-[(4-bromo-1H-indol-2-yl)methyl]-6-azaspiro[3.4]octan-7-yl]acetic acid
CID 167872537

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine (CID 82378614) is 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine is NC1(c2cc3c(Br)cccc3[nH]2)CCCC1.
What is the InChIKey of 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine?
The InChIKey is CPJDLNUDPAPLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-10-4-3-5-11-9(10)8-12(16-11)13(15)6-1-2-7-13/h3-5,8,16H,1-2,6-7,15H2.
What are the key properties of 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine?
1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine has a molecular weight of 279.18 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 82378614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).