N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine

C16H28N2OS — CID 65090297

IUPACN-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCCC1CCCC(NCCOC)(c2nccs2)CC1
InChIInChI=1S/C16H28N2OS/c1-3-5-14-6-4-8-16(9-7-14,18-10-12-19-2)15-17-11-13-20-15/h11,13-14,18H,3-10,12H2,1-2H3
InChIKeyFQPSWASFLLTBHB-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.95
Rot. Bonds7

About N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine

N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65090297) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65090297
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCCC1CCCC(NCCOC)(c2nccs2)CC1
InChIInChI=1S/C16H28N2OS/c1-3-5-14-6-4-8-16(9-7-14,18-10-12-19-2)15-17-11-13-20-15/h11,13-14,18H,3-10,12H2,1-2H3
InChIKeyFQPSWASFLLTBHB-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.95
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

4-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62542779
3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64514523
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086079
N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758236
1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
N-(2-methoxyethyl)-1-methyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65074915
N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
4,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086080
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
N-cyclopropyl-3-ethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64516678
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 75377453

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65090297) is N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine is CCCC1CCCC(NCCOC)(c2nccs2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is FQPSWASFLLTBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-5-14-6-4-8-16(9-7-14,18-10-12-19-2)15-17-11-13-20-15/h11,13-14,18H,3-10,12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65090297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).