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

C17H31N3S — CID 63837883

IUPAC4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)Cc1scnc1C
InChIInChI=1S/C17H31N3S/c1-5-8-18-16-7-6-13(2)9-15(16)10-20(4)11-17-14(3)19-12-21-17/h12-13,15-16,18H,5-11H2,1-4H3
InChIKeyUHPQLXGXFHYCTL-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.69
Rot. Bonds7

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

4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 63837883) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID63837883
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1CN(C)Cc1scnc1C
InChIInChI=1S/C17H31N3S/c1-5-8-18-16-7-6-13(2)9-15(16)10-20(4)11-17-14(3)19-12-21-17/h12-13,15-16,18H,5-11H2,1-4H3
InChIKeyUHPQLXGXFHYCTL-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 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine with MolForge

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Related Compounds

2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609438
2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-4-propylcyclohexan-1-amine
CID 63836320
2,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 64761923
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
2,2-dimethyl-6-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79848805
4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63837383
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
CID 62616093
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 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine (CID 63837883) is 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1CN(C)Cc1scnc1C.
What is the InChIKey of 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is UHPQLXGXFHYCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-8-18-16-7-6-13(2)9-15(16)10-20(4)11-17-14(3)19-12-21-17/h12-13,15-16,18H,5-11H2,1-4H3.
What are the key properties of 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine?
4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-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 4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63837883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).