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

C14H22BrNS — CID 63996638

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2sccc2Br)C(C)C1
InChIInChI=1S/C14H22BrNS/c1-9-4-5-13(10(2)8-9)16-11(3)14-12(15)6-7-17-14/h6-7,9-11,13,16H,4-5,8H2,1-3H3
InChIKeyADWNSEOJPGOSTH-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.99
Rot. Bonds3

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

N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63996638) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63996638
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2sccc2Br)C(C)C1
InChIInChI=1S/C14H22BrNS/c1-9-4-5-13(10(2)8-9)16-11(3)14-12(15)6-7-17-14/h6-7,9-11,13,16H,4-5,8H2,1-3H3
InChIKeyADWNSEOJPGOSTH-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
CID 103783802
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 113437556
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclohexan-1-amine
CID 63995668
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
2,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81375454
2,4-dimethyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 63995673
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 63996638) is N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC(C)c2sccc2Br)C(C)C1.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is ADWNSEOJPGOSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-9-4-5-13(10(2)8-9)16-11(3)14-12(15)6-7-17-14/h6-7,9-11,13,16H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 316.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63996638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).