(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine

C13H15BrN2 — CID 95431608

IUPAC(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
SMILESN[C@H](c1c[nH]c2ccc(Br)cc12)C1CCC1
InChIInChI=1S/C13H15BrN2/c14-9-4-5-12-10(6-9)11(7-16-12)13(15)8-2-1-3-8/h4-8,13,16H,1-3,15H2/t13-/m0/s1
InChIKeyJKQBLTDNWRIWAQ-ZDUSSCGKSA-N
MW279.18 g/mol
LogP3.73
Rot. Bonds2

About (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine

(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine (PubChem CID 95431608) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
PubChem CID95431608
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
SMILESN[C@H](c1c[nH]c2ccc(Br)cc12)C1CCC1
InChIInChI=1S/C13H15BrN2/c14-9-4-5-12-10(6-9)11(7-16-12)13(15)8-2-1-3-8/h4-8,13,16H,1-3,15H2/t13-/m0/s1
InChIKeyJKQBLTDNWRIWAQ-ZDUSSCGKSA-N
XLogP3.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
(5-bromo-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 43152058
5-bromo-3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171290946
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine?
The IUPAC name of (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine (CID 95431608) is (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine.
What is the SMILES notation for (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine?
The canonical SMILES for (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine is N[C@H](c1c[nH]c2ccc(Br)cc12)C1CCC1.
What is the InChIKey of (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine?
The InChIKey is JKQBLTDNWRIWAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-9-4-5-12-10(6-9)11(7-16-12)13(15)8-2-1-3-8/h4-8,13,16H,1-3,15H2/t13-/m0/s1.
What are the key properties of (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine?
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine has a molecular weight of 279.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine is sourced from PubChem (CID 95431608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).