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

C18H30BrNS — CID 65424583

IUPACN-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H30BrNS/c1-4-10-20-17(12-18-16(19)9-11-21-18)15-7-5-14(6-8-15)13(2)3/h9,11,13-15,17,20H,4-8,10,12H2,1-3H3
InChIKeyXSUSDRZIYLLYRF-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.88
Rot. Bonds7

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

N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine (PubChem CID 65424583) has the molecular formula C18H30BrNS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
PubChem CID65424583
Molecular FormulaC18H30BrNS
Molecular Weight372.42 g/mol
Exact Mass371.13
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H30BrNS/c1-4-10-20-17(12-18-16(19)9-11-21-18)15-7-5-14(6-8-15)13(2)3/h9,11,13-15,17,20H,4-8,10,12H2,1-3H3
InChIKeyXSUSDRZIYLLYRF-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
CID 65412289
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
CID 63413437
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
N-[2-(3-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352896
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 105139620
5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720763
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 65411121
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine (CID 65424583) is N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)C1CCC(C(C)C)CC1.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is XSUSDRZIYLLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNS/c1-4-10-20-17(12-18-16(19)9-11-21-18)15-7-5-14(6-8-15)13(2)3/h9,11,13-15,17,20H,4-8,10,12H2,1-3H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 372.42 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 65424583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).