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

C17H31N3S — CID 62609265

IUPACN-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CN(C)Cc2csc(C)n2)C1
InChIInChI=1S/C17H31N3S/c1-5-6-14-7-8-17(18-3)15(9-14)10-20(4)11-16-12-21-13(2)19-16/h12,14-15,17-18H,5-11H2,1-4H3
InChIKeyCPCGURABTHSODL-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.69
Rot. Bonds7

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

N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 62609265) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID62609265
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC)C(CN(C)Cc2csc(C)n2)C1
InChIInChI=1S/C17H31N3S/c1-5-6-14-7-8-17(18-3)15(9-14)10-20(4)11-16-12-21-13(2)19-16/h12,14-15,17-18H,5-11H2,1-4H3
InChIKeyCPCGURABTHSODL-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine with MolForge

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Related Compounds

N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 62609444
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63403329
2-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-propylcyclopropyl)guanidine;hydroiodide
CID 109421775
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63493665
2-[(4-fluorophenyl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63401168
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylbutane-1,4-diamine
CID 62428102
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63836320
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79315179
5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrolidin-3-ol
CID 66055373

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine (CID 62609265) is N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC)C(CN(C)Cc2csc(C)n2)C1.
What is the InChIKey of N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is CPCGURABTHSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-6-14-7-8-17(18-3)15(9-14)10-20(4)11-16-12-21-13(2)19-16/h12,14-15,17-18H,5-11H2,1-4H3.
What are the key properties of N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine?
N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62609265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).