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

C17H32N2S — CID 63492567

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)c1sc(C)nc1C
InChIInChI=1S/C17H32N2S/c1-5-6-7-8-9-10-11-12-13-18-14(2)17-15(3)19-16(4)20-17/h14,18H,5-13H2,1-4H3
InChIKeyLCNUCWVCPKJNGE-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.55
Rot. Bonds11

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine (PubChem CID 63492567) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
PubChem CID63492567
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
SMILESCCCCCCCCCCNC(C)c1sc(C)nc1C
InChIInChI=1S/C17H32N2S/c1-5-6-7-8-9-10-11-12-13-18-14(2)17-15(3)19-16(4)20-17/h14,18H,5-13H2,1-4H3
InChIKeyLCNUCWVCPKJNGE-UHFFFAOYSA-N
XLogP5.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.55
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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 55241750
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 62141442
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706659
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
tert-butyl N-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 81337805

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine (CID 63492567) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine is CCCCCCCCCCNC(C)c1sc(C)nc1C.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine?
The InChIKey is LCNUCWVCPKJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-5-6-7-8-9-10-11-12-13-18-14(2)17-15(3)19-16(4)20-17/h14,18H,5-13H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine has a molecular weight of 296.52 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine is sourced from PubChem (CID 63492567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).