N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine

C15H27N3S — CID 115708161

IUPACN'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN(C)C1CCCCC1)c1cncs1
InChIInChI=1S/C15H27N3S/c1-13(15-11-16-12-19-15)17-9-6-10-18(2)14-7-4-3-5-8-14/h11-14,17H,3-10H2,1-2H3
InChIKeySCOLWOCQZQRGOP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.45
Rot. Bonds7

About N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine (PubChem CID 115708161) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
PubChem CID115708161
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN(C)C1CCCCC1)c1cncs1
InChIInChI=1S/C15H27N3S/c1-13(15-11-16-12-19-15)17-9-6-10-18(2)14-7-4-3-5-8-14/h11-14,17H,3-10H2,1-2H3
InChIKeySCOLWOCQZQRGOP-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.45
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'-cyclohexyl-N'-methyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 54880288
N'-cyclohexyl-N-[1-(4-iodophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 63452116
N'-cyclohexyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60981235
N'-cyclopentyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574004
N'-cyclohexyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 60980294
2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 115723250
N'-cyclopentyl-N'-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethane-1,2-diamine
CID 63314805
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
CID 54880326
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
N-[1-(1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropan-1-amine
CID 115897434

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine (CID 115708161) is N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine is CC(NCCCN(C)C1CCCCC1)c1cncs1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
The InChIKey is SCOLWOCQZQRGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-13(15-11-16-12-19-15)17-9-6-10-18(2)14-7-4-3-5-8-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine has a molecular weight of 281.47 g/mol, XLogP of 3.45, 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-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115708161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).