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

C15H29N3OS — CID 62430675

IUPACN-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN(CCOC)CC(C)C)cs1
InChIInChI=1S/C15H29N3OS/c1-5-6-16-9-15-17-14(12-20-15)11-18(7-8-19-4)10-13(2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyPKFNCOPPWGCJJC-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.75
Rot. Bonds11

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

N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 62430675) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID62430675
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(CN(CCOC)CC(C)C)cs1
InChIInChI=1S/C15H29N3OS/c1-5-6-16-9-15-17-14(12-20-15)11-18(7-8-19-4)10-13(2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyPKFNCOPPWGCJJC-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62461115
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653
N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55073796
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 81067851
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62436296
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986846
N-[[4-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62429112
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62426511
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62430771

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 62430675) is N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1nc(CN(CCOC)CC(C)C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is PKFNCOPPWGCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-5-6-16-9-15-17-14(12-20-15)11-18(7-8-19-4)10-13(2)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 2.75, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62430675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).