N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine

C14H22BrNS — CID 106042746

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc(Br)s2)CC1C
InChIInChI=1S/C14H22BrNS/c1-10-3-4-12(9-11(10)2)16-8-7-13-5-6-14(15)17-13/h5-6,10-12,16H,3-4,7-9H2,1-2H3
InChIKeyGEMDTZHPKZRBBU-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.47
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 106042746) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID106042746
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc(Br)s2)CC1C
InChIInChI=1S/C14H22BrNS/c1-10-3-4-12(9-11(10)2)16-8-7-13-5-6-14(15)17-13/h5-6,10-12,16H,3-4,7-9H2,1-2H3
InChIKeyGEMDTZHPKZRBBU-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 106043015
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
CID 115882068
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
3,4-dimethyl-N-(2-pyridin-4-ylethyl)cyclohexan-1-amine
CID 64746199
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540
4-[2-(5-bromothiophen-2-yl)ethylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 103912761
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023040
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine (CID 106042746) is N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCCc2ccc(Br)s2)CC1C.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is GEMDTZHPKZRBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-10-3-4-12(9-11(10)2)16-8-7-13-5-6-14(15)17-13/h5-6,10-12,16H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.47, 4 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]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106042746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).