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

C14H25N3S — CID 54880424

IUPACN'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCc1csc(NCCCN(C)C2CCCCC2)n1
InChIInChI=1S/C14H25N3S/c1-12-11-18-14(16-12)15-9-6-10-17(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeyBYGNCPUTZNBWCS-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.52
Rot. Bonds6

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

N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 54880424) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID54880424
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCc1csc(NCCCN(C)C2CCCCC2)n1
InChIInChI=1S/C14H25N3S/c1-12-11-18-14(16-12)15-9-6-10-17(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,15,16)
InChIKeyBYGNCPUTZNBWCS-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.52
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-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 113283361
N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61313714
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 65270947
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-(5-nitro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102770507
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193008
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine (CID 54880424) is N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is Cc1csc(NCCCN(C)C2CCCCC2)n1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is BYGNCPUTZNBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12-11-18-14(16-12)15-9-6-10-17(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 267.44 g/mol, XLogP of 3.52, 6 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-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 54880424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).