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

C16H26BrNS — CID 106043282

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCCc2ccc(Br)s2)C1
InChIInChI=1S/C16H26BrNS/c1-12(2)10-13-4-3-5-14(11-13)18-9-8-15-6-7-16(17)19-15/h6-7,12-14,18H,3-5,8-11H2,1-2H3
InChIKeyCHNBIDGNROMQHX-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.25
Rot. Bonds6

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

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 106043282) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID106043282
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CC1CCCC(NCCc2ccc(Br)s2)C1
InChIInChI=1S/C16H26BrNS/c1-12(2)10-13-4-3-5-14(11-13)18-9-8-15-6-7-16(17)19-15/h6-7,12-14,18H,3-5,8-11H2,1-2H3
InChIKeyCHNBIDGNROMQHX-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 106043015
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
N-[2-(5-bromothiophen-2-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106043985
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
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-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
N-[2-(1H-imidazol-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428805
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine (CID 106043282) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine is CC(C)CC1CCCC(NCCc2ccc(Br)s2)C1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is CHNBIDGNROMQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-12(2)10-13-4-3-5-14(11-13)18-9-8-15-6-7-16(17)19-15/h6-7,12-14,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 344.36 g/mol, XLogP of 5.25, 6 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-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 106043282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).