N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

C16H28N2OS — CID 80727874

IUPACN-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCCC1CN(Cc2cc(CNC(C)C)sc2C)CCO1
InChIInChI=1S/C16H28N2OS/c1-5-15-11-18(6-7-19-15)10-14-8-16(20-13(14)4)9-17-12(2)3/h8,12,15,17H,5-7,9-11H2,1-4H3
InChIKeyBYSYXXLEHVZZOI-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine

N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine (PubChem CID 80727874) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
PubChem CID80727874
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine
SMILESCCC1CN(Cc2cc(CNC(C)C)sc2C)CCO1
InChIInChI=1S/C16H28N2OS/c1-5-15-11-18(6-7-19-15)10-14-8-16(20-13(14)4)9-17-12(2)3/h8,12,15,17H,5-7,9-11H2,1-4H3
InChIKeyBYSYXXLEHVZZOI-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62434453
N-[[6-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905866
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135020
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728289
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
N-[[5-[(2-ethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555922

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine (CID 80727874) is N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine is CCC1CN(Cc2cc(CNC(C)C)sc2C)CCO1.
What is the InChIKey of N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
The InChIKey is BYSYXXLEHVZZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-15-11-18(6-7-19-15)10-14-8-16(20-13(14)4)9-17-12(2)3/h8,12,15,17H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine?
N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80727874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).