N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine

C17H28BrNS — CID 63501873

IUPACN-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
SMILESCCCCC1CCC(C(NCC)c2ccc(Br)s2)CC1
InChIInChI=1S/C17H28BrNS/c1-3-5-6-13-7-9-14(10-8-13)17(19-4-2)15-11-12-16(18)20-15/h11-14,17,19H,3-10H2,1-2H3
InChIKeyVEHUOTKMXIYCLB-UHFFFAOYSA-N
MW358.39 g/mol
LogP6.16
Rot. Bonds7

About N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine (PubChem CID 63501873) has the molecular formula C17H28BrNS and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
PubChem CID63501873
Molecular FormulaC17H28BrNS
Molecular Weight358.39 g/mol
Exact Mass357.11
IUPAC NameN-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
SMILESCCCCC1CCC(C(NCC)c2ccc(Br)s2)CC1
InChIInChI=1S/C17H28BrNS/c1-3-5-6-13-7-9-14(10-8-13)17(19-4-2)15-11-12-16(18)20-15/h11-14,17,19H,3-10H2,1-2H3
InChIKeyVEHUOTKMXIYCLB-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine with MolForge

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Related Compounds

1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
N-[(4-butylcyclohexyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763864
N-[(4-bromothiophen-3-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 105010508
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532961
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331178
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220
2-[bromo-(4-butylcyclohexyl)methyl]-5-ethylthiophene
CID 63439010
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine (CID 63501873) is N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine is CCCCC1CCC(C(NCC)c2ccc(Br)s2)CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine?
The InChIKey is VEHUOTKMXIYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNS/c1-3-5-6-13-7-9-14(10-8-13)17(19-4-2)15-11-12-16(18)20-15/h11-14,17,19H,3-10H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine has a molecular weight of 358.39 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 63501873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).