4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C15H25BrN2S — CID 102627967

IUPAC4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CNCc2sccc2Br)C1(C)C
InChIInChI=1S/C15H25BrN2S/c1-10-13(17)5-4-11(15(10,2)3)8-18-9-14-12(16)6-7-19-14/h6-7,10-11,13,18H,4-5,8-9,17H2,1-3H3
InChIKeyLETRADKDYGULKV-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.00
Rot. Bonds4

About 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627967) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627967
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC Name4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CNCc2sccc2Br)C1(C)C
InChIInChI=1S/C15H25BrN2S/c1-10-13(17)5-4-11(15(10,2)3)8-18-9-14-12(16)6-7-19-14/h6-7,10-11,13,18H,4-5,8-9,17H2,1-3H3
InChIKeyLETRADKDYGULKV-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 102627893
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123711
N-[(3-bromothiophen-2-yl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-amine
CID 123762317
4-amino-2,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide
CID 102629053
4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628023
N-[(3-bromothiophen-2-yl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223869
2,3,3-trimethyl-4-[[(2-methyloxolan-2-yl)methylamino]methyl]cyclohexan-1-amine
CID 102627953
2-[(3-bromothiophen-2-yl)methylamino]ethanesulfonamide
CID 115379860
N-[(3-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104917199
N-[(3-bromothiophen-2-yl)methyl]-1-(5-methylsulfanylfuran-2-yl)methanamine
CID 126833010
4-[1-[[(3-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]aniline
CID 112558192
4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1-cyclopropylpyrrolidin-2-one
CID 154743790

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627967) is 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CNCc2sccc2Br)C1(C)C.
What is the InChIKey of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is LETRADKDYGULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-10-13(17)5-4-11(15(10,2)3)8-18-9-14-12(16)6-7-19-14/h6-7,10-11,13,18H,4-5,8-9,17H2,1-3H3.
What are the key properties of 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 345.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-bromothiophen-2-yl)methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).