N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

C18H30BrNS — CID 81025143

IUPACN-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C18H30BrNS/c1-12(2)14-5-6-15(10-20-13(3)4)16(7-14)8-18-9-17(19)11-21-18/h9,11-16,20H,5-8,10H2,1-4H3
InChIKeyVLGVULVDFMSKLM-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.74
Rot. Bonds6

About N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 81025143) has the molecular formula C18H30BrNS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID81025143
Molecular FormulaC18H30BrNS
Molecular Weight372.42 g/mol
Exact Mass371.13
IUPAC NameN-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)C)CC1Cc1cc(Br)cs1
InChIInChI=1S/C18H30BrNS/c1-12(2)14-5-6-15(10-20-13(3)4)16(7-14)8-18-9-17(19)11-21-18/h9,11-16,20H,5-8,10H2,1-4H3
InChIKeyVLGVULVDFMSKLM-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032355
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030590
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81032336
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031821
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63478526
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424657
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]propan-2-amine
CID 104813948
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 55195272

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 81025143) is N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(C(C)C)CC1Cc1cc(Br)cs1.
What is the InChIKey of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is VLGVULVDFMSKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNS/c1-12(2)14-5-6-15(10-20-13(3)4)16(7-14)8-18-9-17(19)11-21-18/h9,11-16,20H,5-8,10H2,1-4H3.
What are the key properties of N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 372.42 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81025143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).