N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine

C12H19BrN2S — CID 115213382

IUPACN-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine
SMILESCN(CC1CCC(N)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2S/c1-15(12-7-6-11(13)16-12)8-9-2-4-10(14)5-3-9/h6-7,9-10H,2-5,8,14H2,1H3
InChIKeyHMRPRJFSRGWODX-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.46
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine

N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine (PubChem CID 115213382) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine
PubChem CID115213382
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC NameN-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine
SMILESCN(CC1CCC(N)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H19BrN2S/c1-15(12-7-6-11(13)16-12)8-9-2-4-10(14)5-3-9/h6-7,9-10H,2-5,8,14H2,1H3
InChIKeyHMRPRJFSRGWODX-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine (CID 115213382) is N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine is CN(CC1CCC(N)CC1)c1ccc(Br)s1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine?
The InChIKey is HMRPRJFSRGWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-15(12-7-6-11(13)16-12)8-9-2-4-10(14)5-3-9/h6-7,9-10H,2-5,8,14H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine?
N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine has a molecular weight of 303.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-5-bromo-N-methylthiophen-2-amine is sourced from PubChem (CID 115213382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).