N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine

C16H28N2S — CID 61336236

IUPACN-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
SMILESCCCCCCC(NC1CC1)c1nc(CC)c(C)s1
InChIInChI=1S/C16H28N2S/c1-4-6-7-8-9-15(17-13-10-11-13)16-18-14(5-2)12(3)19-16/h13,15,17H,4-11H2,1-3H3
InChIKeyHKXQGEVZBLLXGI-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.78
Rot. Bonds9

About N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine

N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine (PubChem CID 61336236) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
PubChem CID61336236
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine
SMILESCCCCCCC(NC1CC1)c1nc(CC)c(C)s1
InChIInChI=1S/C16H28N2S/c1-4-6-7-8-9-15(17-13-10-11-13)16-18-14(5-2)12(3)19-16/h13,15,17H,4-11H2,1-3H3
InChIKeyHKXQGEVZBLLXGI-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylheptan-1-amine
CID 61331537
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 63405862
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-ethylsulfanylpropyl]cyclopropanamine
CID 116504483
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)heptan-1-amine
CID 62544291
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 61336142
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66133913
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 61333888
N-ethyl-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 61330235
N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83092056
N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61336237

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine?
The IUPAC name of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine (CID 61336236) is N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine is CCCCCCC(NC1CC1)c1nc(CC)c(C)s1.
What is the InChIKey of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine?
The InChIKey is HKXQGEVZBLLXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-4-6-7-8-9-15(17-13-10-11-13)16-18-14(5-2)12(3)19-16/h13,15,17H,4-11H2,1-3H3.
What are the key properties of N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine?
N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine has a molecular weight of 280.48 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)heptyl]cyclopropanamine is sourced from PubChem (CID 61336236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).