N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine

C14H26N2OS — CID 63953061

IUPACN-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
SMILESCCCCC(CC)(NCCOC)c1nc(C)cs1
InChIInChI=1S/C14H26N2OS/c1-5-7-8-14(6-2,15-9-10-17-4)13-16-12(3)11-18-13/h11,15H,5-10H2,1-4H3
InChIKeySAROEPHGGDUBCS-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.48
Rot. Bonds9

About N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine

N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine (PubChem CID 63953061) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
PubChem CID63953061
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine
SMILESCCCCC(CC)(NCCOC)c1nc(C)cs1
InChIInChI=1S/C14H26N2OS/c1-5-7-8-14(6-2,15-9-10-17-4)13-16-12(3)11-18-13/h11,15H,5-10H2,1-4H3
InChIKeySAROEPHGGDUBCS-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 63951458
N-(2-methoxyethyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-3-amine
CID 63953260
3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-3-amine
CID 63952060
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 61330642
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
CID 62542781
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61330206
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61332999
N-(2-methoxyethyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62543626
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
CID 64917236

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine (CID 63953061) is N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine is CCCCC(CC)(NCCOC)c1nc(C)cs1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine?
The InChIKey is SAROEPHGGDUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-7-8-14(6-2,15-9-10-17-4)13-16-12(3)11-18-13/h11,15H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine?
N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine has a molecular weight of 270.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)heptan-3-amine is sourced from PubChem (CID 63953061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).