N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine

C16H32N2S — CID 62616093

IUPACN-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
SMILESCCCNC1CCC(C)CC1CN(C)C1CCSC1
InChIInChI=1S/C16H32N2S/c1-4-8-17-16-6-5-13(2)10-14(16)11-18(3)15-7-9-19-12-15/h13-17H,4-12H2,1-3H3
InChIKeyRYTPREWJHCFFGJ-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.23
Rot. Bonds6

About N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine

N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine (PubChem CID 62616093) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
PubChem CID62616093
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine
SMILESCCCNC1CCC(C)CC1CN(C)C1CCSC1
InChIInChI=1S/C16H32N2S/c1-4-8-17-16-6-5-13(2)10-14(16)11-18(3)15-7-9-19-12-15/h13-17H,4-12H2,1-3H3
InChIKeyRYTPREWJHCFFGJ-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63494785
N,1-dimethyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-amine
CID 62616944
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methylthiolan-3-amine
CID 62615918
4-methyl-2-[[methyl(pentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63493449
4-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63495788
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
4-methyl-2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-N-propylcyclohexan-1-amine
CID 112665039
4-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-propylcyclohexan-1-amine
CID 63837883
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256771
2-[[cycloheptyl(methyl)amino]methyl]-N-propylcycloheptan-1-amine
CID 63493452
2-[[cyclohexyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615295

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine?
The IUPAC name of N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine (CID 62616093) is N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine is CCCNC1CCC(C)CC1CN(C)C1CCSC1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine?
The InChIKey is RYTPREWJHCFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-4-8-17-16-6-5-13(2)10-14(16)11-18(3)15-7-9-19-12-15/h13-17H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine?
N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine has a molecular weight of 284.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-(propylamino)cyclohexyl]methyl]thiolan-3-amine is sourced from PubChem (CID 62616093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).