N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

C16H26N2OS — CID 80727648

IUPACN-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1sc(CNC2CC2)cc1CN1CCOCC1(C)C
InChIInChI=1S/C16H26N2OS/c1-12-13(8-15(20-12)9-17-14-4-5-14)10-18-6-7-19-11-16(18,2)3/h8,14,17H,4-7,9-11H2,1-3H3
InChIKeyFYBROZCNZPHHKH-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.92
Rot. Bonds5

About N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 80727648) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID80727648
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1sc(CNC2CC2)cc1CN1CCOCC1(C)C
InChIInChI=1S/C16H26N2OS/c1-12-13(8-15(20-12)9-17-14-4-5-14)10-18-6-7-19-11-16(18,2)3/h8,14,17H,4-7,9-11H2,1-3H3
InChIKeyFYBROZCNZPHHKH-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine (CID 80727648) is N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine is Cc1sc(CNC2CC2)cc1CN1CCOCC1(C)C.
What is the InChIKey of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is FYBROZCNZPHHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12-13(8-15(20-12)9-17-14-4-5-14)10-18-6-7-19-11-16(18,2)3/h8,14,17H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 294.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80727648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).