N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C16H26BrNS — CID 43433707

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2csc(Br)c2)CC1
InChIInChI=1S/C16H26BrNS/c1-4-16(2,3)13-5-7-14(8-6-13)18-10-12-9-15(17)19-11-12/h9,11,13-14,18H,4-8,10H2,1-3H3
InChIKeyUPYTWTLACLKVMI-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.60
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43433707) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43433707
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2csc(Br)c2)CC1
InChIInChI=1S/C16H26BrNS/c1-4-16(2,3)13-5-7-14(8-6-13)18-10-12-9-15(17)19-11-12/h9,11,13-14,18H,4-8,10H2,1-3H3
InChIKeyUPYTWTLACLKVMI-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43433707) is N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2csc(Br)c2)CC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is UPYTWTLACLKVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-4-16(2,3)13-5-7-14(8-6-13)18-10-12-9-15(17)19-11-12/h9,11,13-14,18H,4-8,10H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 344.36 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43433707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).