N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C17H27NOS — CID 105016176

IUPACN-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccc(C)s1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27NOS/c1-13-6-7-15(20-13)16(18-2)14-8-11-19-17(12-14)9-4-3-5-10-17/h6-7,14,16,18H,3-5,8-12H2,1-2H3
InChIKeyVDPTUCSGBISQSY-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.45
Rot. Bonds3

About N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 105016176) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID105016176
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccc(C)s1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H27NOS/c1-13-6-7-15(20-13)16(18-2)14-8-11-19-17(12-14)9-4-3-5-10-17/h6-7,14,16,18H,3-5,8-12H2,1-2H3
InChIKeyVDPTUCSGBISQSY-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105012049
[(5-methylthiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325423
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79908703
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
1-(3,5-dimethylphenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016685
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169862
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 105016176) is N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CNC(c1ccc(C)s1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is VDPTUCSGBISQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-13-6-7-15(20-13)16(18-2)14-8-11-19-17(12-14)9-4-3-5-10-17/h6-7,14,16,18H,3-5,8-12H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 293.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 105016176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).