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

CID 54594887
CID 54594887
CID 84779096
CID 84779096
CID 84779097
CID 84779097
CID 84784897
CID 84784897
CID 84787487
CID 84787487
CID 84797020
CID 84797020
CID 84797021
CID 84797021
CID 84806599
CID 84806599
CID 104860377
CID 104860377
CID 113327082
CID 113327082
CID 113459680
CID 113459680
CID 115410588
CID 115410588

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).