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

C15H26N2S — CID 65086079

IUPAC4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCCNC1(c2nccs2)CCCC(CC)CC1
InChIInChI=1S/C15H26N2S/c1-3-10-17-15(14-16-11-12-18-14)8-5-6-13(4-2)7-9-15/h11-13,17H,3-10H2,1-2H3
InChIKeyLIFNCKGFDGUAAD-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.33
Rot. Bonds5

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

4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65086079) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65086079
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCCNC1(c2nccs2)CCCC(CC)CC1
InChIInChI=1S/C15H26N2S/c1-3-10-17-15(14-16-11-12-18-14)8-5-6-13(4-2)7-9-15/h11-13,17H,3-10H2,1-2H3
InChIKeyLIFNCKGFDGUAAD-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
4-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 62542779
N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65090297
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
3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64514523
N-cyclopropyl-3-ethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64516678
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
N-propyl-3-(1,3-thiazol-2-yl)oxolan-3-amine
CID 63333466
5-methyl-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 79949785
1,1-dioxo-N-propyl-3-(1,3-thiazol-2-yl)thiolan-3-amine
CID 63166254
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 75377453

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65086079) is 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine is CCCNC1(c2nccs2)CCCC(CC)CC1.
What is the InChIKey of 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is LIFNCKGFDGUAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-10-17-15(14-16-11-12-18-14)8-5-6-13(4-2)7-9-15/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine?
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65086079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).