2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine

C16H29N3OS — CID 62255909

IUPAC2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCc1nc(CN(C)CC2(CNC(C)(C)C)CCOC2)cs1
InChIInChI=1S/C16H29N3OS/c1-13-18-14(9-21-13)8-19(5)11-16(6-7-20-12-16)10-17-15(2,3)4/h9,17H,6-8,10-12H2,1-5H3
InChIKeyOEMQYULDOZEFJG-UHFFFAOYSA-N
MW311.50 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62255909) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62255909
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCc1nc(CN(C)CC2(CNC(C)(C)C)CCOC2)cs1
InChIInChI=1S/C16H29N3OS/c1-13-18-14(9-21-13)8-19(5)11-16(6-7-20-12-16)10-17-15(2,3)4/h9,17H,6-8,10-12H2,1-5H3
InChIKeyOEMQYULDOZEFJG-UHFFFAOYSA-N
XLogP2.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62255909) is 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine is Cc1nc(CN(C)CC2(CNC(C)(C)C)CCOC2)cs1.
What is the InChIKey of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is OEMQYULDOZEFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-13-18-14(9-21-13)8-19(5)11-16(6-7-20-12-16)10-17-15(2,3)4/h9,17H,6-8,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 311.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62255909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).