N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine

C16H26BrNS — CID 105155352

IUPACN-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)C1CCC(CC)CC1
InChIInChI=1S/C16H26BrNS/c1-3-9-18-16(14-10-15(17)19-11-14)13-7-5-12(4-2)6-8-13/h10-13,16,18H,3-9H2,1-2H3
InChIKeyCYSBIKNSIIUQAJ-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.77
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine

N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 105155352) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID105155352
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC NameN-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)C1CCC(CC)CC1
InChIInChI=1S/C16H26BrNS/c1-3-9-18-16(14-10-15(17)19-11-14)13-7-5-12(4-2)6-8-13/h10-13,16,18H,3-9H2,1-2H3
InChIKeyCYSBIKNSIIUQAJ-UHFFFAOYSA-N
XLogP5.77
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 ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
CID 105157272
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990900
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[(2,5-dibromophenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990870
N-[(4-ethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 105155197
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 103406324

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 105155352) is N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1csc(Br)c1)C1CCC(CC)CC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is CYSBIKNSIIUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-3-9-18-16(14-10-15(17)19-11-14)13-7-5-12(4-2)6-8-13/h10-13,16,18H,3-9H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 344.36 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 105155352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).