(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine

C15H24BrNS — CID 105010652

IUPAC(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
SMILESCCCCC1CCC(C(N)c2cscc2Br)CC1
InChIInChI=1S/C15H24BrNS/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-18-10-14(13)16/h9-12,15H,2-8,17H2,1H3
InChIKeyRUSQXXUPKIVNEP-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.51
Rot. Bonds5

About (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine

(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine (PubChem CID 105010652) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
PubChem CID105010652
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine
SMILESCCCCC1CCC(C(N)c2cscc2Br)CC1
InChIInChI=1S/C15H24BrNS/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-18-10-14(13)16/h9-12,15H,2-8,17H2,1H3
InChIKeyRUSQXXUPKIVNEP-UHFFFAOYSA-N
XLogP5.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 63502788
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(4-butylcyclohexyl)-(2,3-difluorophenyl)methanamine
CID 115861911
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
CID 105041317
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
(4-butylcyclohexyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299288
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
CID 105038676
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine (CID 105010652) is (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine is CCCCC1CCC(C(N)c2cscc2Br)CC1.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine?
The InChIKey is RUSQXXUPKIVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-2-3-4-11-5-7-12(8-6-11)15(17)13-9-18-10-14(13)16/h9-12,15H,2-8,17H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine?
(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine has a molecular weight of 330.34 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-butylcyclohexyl)methanamine is sourced from PubChem (CID 105010652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).