N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

C15H24BrNS — CID 106043985

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-11(2)12-3-5-13(6-4-12)17-10-9-14-7-8-15(16)18-14/h7-8,11-13,17H,3-6,9-10H2,1-2H3
InChIKeyAEVIFCOVUKTBHQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.86
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 106043985) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID106043985
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C15H24BrNS/c1-11(2)12-3-5-13(6-4-12)17-10-9-14-7-8-15(16)18-14/h7-8,11-13,17H,3-6,9-10H2,1-2H3
InChIKeyAEVIFCOVUKTBHQ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912761
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 106043015
N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
CID 115882068
N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023040
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
N-(1-cyclobutylethyl)-5-[2-(cyclopropylamino)ethyl]thiophene-2-sulfonamide
CID 106084827

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 106043985) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCCc2ccc(Br)s2)CC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is AEVIFCOVUKTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-11(2)12-3-5-13(6-4-12)17-10-9-14-7-8-15(16)18-14/h7-8,11-13,17H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106043985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).