N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine

C15H25NOS — CID 164633772

IUPACN-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
SMILESCC(C)Cc1ccc(CN(C)C[C@H]2CCOC2)s1
InChIInChI=1S/C15H25NOS/c1-12(2)8-14-4-5-15(18-14)10-16(3)9-13-6-7-17-11-13/h4-5,12-13H,6-11H2,1-3H3/t13-/m1/s1
InChIKeyQMRYJNBOBUTNSR-CYBMUJFWSA-N
MW267.44 g/mol
LogP3.41
Rot. Bonds6

About N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine

N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine (PubChem CID 164633772) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
PubChem CID164633772
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
SMILESCC(C)Cc1ccc(CN(C)C[C@H]2CCOC2)s1
InChIInChI=1S/C15H25NOS/c1-12(2)8-14-4-5-15(18-14)10-16(3)9-13-6-7-17-11-13/h4-5,12-13H,6-11H2,1-3H3/t13-/m1/s1
InChIKeyQMRYJNBOBUTNSR-CYBMUJFWSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine (CID 164633772) is N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine is CC(C)Cc1ccc(CN(C)C[C@H]2CCOC2)s1.
What is the InChIKey of N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine?
The InChIKey is QMRYJNBOBUTNSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(2)8-14-4-5-15(18-14)10-16(3)9-13-6-7-17-11-13/h4-5,12-13H,6-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine?
N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine is sourced from PubChem (CID 164633772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).