N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine

C16H27BrN2OS — CID 61000910

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C16H27BrN2OS/c1-12(2)10-14(19-6-8-20-9-7-19)11-18-13(3)15-4-5-16(17)21-15/h4-5,12-14,18H,6-11H2,1-3H3
InChIKeyFOJBKDQMABIDHV-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.91
Rot. Bonds7

About N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine

N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (PubChem CID 61000910) has the molecular formula C16H27BrN2OS and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
PubChem CID61000910
Molecular FormulaC16H27BrN2OS
Molecular Weight375.38 g/mol
Exact Mass374.10
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C16H27BrN2OS/c1-12(2)10-14(19-6-8-20-9-7-19)11-18-13(3)15-4-5-16(17)21-15/h4-5,12-14,18H,6-11H2,1-3H3
InChIKeyFOJBKDQMABIDHV-UHFFFAOYSA-N
XLogP3.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (CID 61000910) is N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is CC(C)CC(CNC(C)c1ccc(Br)s1)N1CCOCC1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The InChIKey is FOJBKDQMABIDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2OS/c1-12(2)10-14(19-6-8-20-9-7-19)11-18-13(3)15-4-5-16(17)21-15/h4-5,12-14,18H,6-11H2,1-3H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine has a molecular weight of 375.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 61000910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).