N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine

C16H29N3S — CID 60981235

IUPACN'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
SMILESCc1nc(C(C)NCCCN(C)C2CCCCC2)cs1
InChIInChI=1S/C16H29N3S/c1-13(16-12-20-14(2)18-16)17-10-7-11-19(3)15-8-5-4-6-9-15/h12-13,15,17H,4-11H2,1-3H3
InChIKeyMUTBTFJFAAHJED-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.76
Rot. Bonds7

About N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine (PubChem CID 60981235) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
PubChem CID60981235
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
SMILESCc1nc(C(C)NCCCN(C)C2CCCCC2)cs1
InChIInChI=1S/C16H29N3S/c1-13(16-12-20-14(2)18-16)17-10-7-11-19(3)15-8-5-4-6-9-15/h12-13,15,17H,4-11H2,1-3H3
InChIKeyMUTBTFJFAAHJED-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.76
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'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
CID 63314805
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 60980294
N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
CID 115708161
N'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N'-cyclohexyl-N-[1-(4-iodophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 63452116
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 54880424
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
CID 54903725
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine (CID 60981235) is N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine is Cc1nc(C(C)NCCCN(C)C2CCCCC2)cs1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
The InChIKey is MUTBTFJFAAHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-13(16-12-20-14(2)18-16)17-10-7-11-19(3)15-8-5-4-6-9-15/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine has a molecular weight of 295.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60981235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).