N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine

C17H31N3S — CID 60980294

IUPACN'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCc1nc(C(C)NCCCN(C)C2CCCCC2)c(C)s1
InChIInChI=1S/C17H31N3S/c1-13(17-14(2)21-15(3)19-17)18-11-8-12-20(4)16-9-6-5-7-10-16/h13,16,18H,5-12H2,1-4H3
InChIKeyASNRGQVCEXJMAI-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.07
Rot. Bonds7

About N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 60980294) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID60980294
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
SMILESCc1nc(C(C)NCCCN(C)C2CCCCC2)c(C)s1
InChIInChI=1S/C17H31N3S/c1-13(17-14(2)21-15(3)19-17)18-11-8-12-20(4)16-9-6-5-7-10-16/h13,16,18H,5-12H2,1-4H3
InChIKeyASNRGQVCEXJMAI-UHFFFAOYSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60981235
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N'-cyclohexyl-N-[1-(4-iodophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 63452116
N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
CID 115708161
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
CID 54880326
N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
CID 63314805

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine (CID 60980294) is N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine is Cc1nc(C(C)NCCCN(C)C2CCCCC2)c(C)s1.
What is the InChIKey of N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is ASNRGQVCEXJMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-13(17-14(2)21-15(3)19-17)18-11-8-12-20(4)16-9-6-5-7-10-16/h13,16,18H,5-12H2,1-4H3.
What are the key properties of N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 309.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 60980294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).