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

C15H26N2S — CID 62069776

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCCc2scnc2C)CC1
InChIInChI=1S/C15H26N2S/c1-3-4-13-5-7-14(8-6-13)16-10-9-15-12(2)17-11-18-15/h11,13-14,16H,3-10H2,1-2H3
InChIKeyXAAZJQMCLFKGJF-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.94
Rot. Bonds6

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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 62069776) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID62069776
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCCc2scnc2C)CC1
InChIInChI=1S/C15H26N2S/c1-3-4-13-5-7-14(8-6-13)16-10-9-15-12(2)17-11-18-15/h11,13-14,16H,3-10H2,1-2H3
InChIKeyXAAZJQMCLFKGJF-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 64742874
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
CID 103062804
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470686
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 62070485
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095982
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
CID 62445140
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63837383
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
CID 63836693

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine (CID 62069776) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCCc2scnc2C)CC1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is XAAZJQMCLFKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-3-4-13-5-7-14(8-6-13)16-10-9-15-12(2)17-11-18-15/h11,13-14,16H,3-10H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62069776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).