N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine

C18H30BrNS — CID 81026302

IUPACN-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C(C)C)CC1c1cscc1Br
InChIInChI=1S/C18H30BrNS/c1-12(2)8-20-9-15-6-5-14(13(3)4)7-16(15)17-10-21-11-18(17)19/h10-16,20H,5-9H2,1-4H3
InChIKeyHAFIVADJYYJQSW-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.91
Rot. Bonds6

About N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81026302) has the molecular formula C18H30BrNS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81026302
Molecular FormulaC18H30BrNS
Molecular Weight372.42 g/mol
Exact Mass371.13
IUPAC NameN-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(C(C)C)CC1c1cscc1Br
InChIInChI=1S/C18H30BrNS/c1-12(2)8-20-9-15-6-5-14(13(3)4)7-16(15)17-10-21-11-18(17)19/h10-16,20H,5-9H2,1-4H3
InChIKeyHAFIVADJYYJQSW-UHFFFAOYSA-N
XLogP5.91
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 ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81026188
N-[[2-(4-bromothiophen-3-yl)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 81028976
N-[[2-(4-bromo-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114667530
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[[2-(2-bromo-5-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114078028
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(5-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712454
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034192
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025143
1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81029186

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81026302) is N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(C(C)C)CC1c1cscc1Br.
What is the InChIKey of N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HAFIVADJYYJQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNS/c1-12(2)8-20-9-15-6-5-14(13(3)4)7-16(15)17-10-21-11-18(17)19/h10-16,20H,5-9H2,1-4H3.
What are the key properties of N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-bromothiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 372.42 g/mol, XLogP of 5.91, 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-3-yl)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81026302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).