N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine

C15H22BrNS — CID 106043015

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESBrc1ccc(CCNC2CCCC(C3CC3)C2)s1
InChIInChI=1S/C15H22BrNS/c16-15-7-6-14(18-15)8-9-17-13-3-1-2-12(10-13)11-4-5-11/h6-7,11-13,17H,1-5,8-10H2
InChIKeyMQXUIDZCKARYNF-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.61
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 106043015) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID106043015
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESBrc1ccc(CCNC2CCCC(C3CC3)C2)s1
InChIInChI=1S/C15H22BrNS/c16-15-7-6-14(18-15)8-9-17-13-3-1-2-12(10-13)11-4-5-11/h6-7,11-13,17H,1-5,8-10H2
InChIKeyMQXUIDZCKARYNF-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 106043282
N-[2-(5-bromothiophen-2-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 106042746
N-[2-(5-bromothiophen-2-yl)ethyl]thian-3-amine
CID 115882068
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-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106047218
N-[2-(5-bromothiophen-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 106046991
N-[2-(5-bromothiophen-2-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106043576
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 79762958

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine (CID 106043015) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine is Brc1ccc(CCNC2CCCC(C3CC3)C2)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is MQXUIDZCKARYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c16-15-7-6-14(18-15)8-9-17-13-3-1-2-12(10-13)11-4-5-11/h6-7,11-13,17H,1-5,8-10H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.61, 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]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 106043015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).