N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C15H26N2S — CID 107004833

IUPACN-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)C1CC1(C)C
InChIInChI=1S/C15H26N2S/c1-6-7-16-13(12-9-15(12,4)5)8-14-17-10(2)11(3)18-14/h12-13,16H,6-9H2,1-5H3
InChIKeyRVUCNOUVLVJKDG-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 107004833) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID107004833
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)c(C)s1)C1CC1(C)C
InChIInChI=1S/C15H26N2S/c1-6-7-16-13(12-9-15(12,4)5)8-14-17-10(2)11(3)18-14/h12-13,16H,6-9H2,1-5H3
InChIKeyRVUCNOUVLVJKDG-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107005797
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714793
N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107004920
N-[(4-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001441
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114623006
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
3-[2-(2,2-dimethylcyclopropyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 107925499
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 65169094
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721640
N-[2-(3,4-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107001925

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 107004833) is N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)c(C)s1)C1CC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is RVUCNOUVLVJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-6-7-16-13(12-9-15(12,4)5)8-14-17-10(2)11(3)18-14/h12-13,16H,6-9H2,1-5H3.
What are the key properties of N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclopropyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107004833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).