N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine

C16H34N2OS — CID 115987811

IUPACN-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)CC1CCC(CNCC(C)C)O1
InChIInChI=1S/C16H34N2OS/c1-6-14(12-20-5)18(4)11-16-8-7-15(19-16)10-17-9-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyYWLUIZKKYKUMGZ-UHFFFAOYSA-N
MW302.53 g/mol
LogP2.85
Rot. Bonds10

About N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine

N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 115987811) has the molecular formula C16H34N2OS and a molecular weight of 302.53 g/mol. Its IUPAC name is N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
PubChem CID115987811
Molecular FormulaC16H34N2OS
Molecular Weight302.53 g/mol
Exact Mass302.24
IUPAC NameN-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)CC1CCC(CNCC(C)C)O1
InChIInChI=1S/C16H34N2OS/c1-6-14(12-20-5)18(4)11-16-8-7-15(19-16)10-17-9-13(2)3/h13-17H,6-12H2,1-5H3
InChIKeyYWLUIZKKYKUMGZ-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]pentan-2-amine
CID 62461429
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665945
N-[[5-[[1-cyclopropylethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 55074326
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]butan-2-amine
CID 62422388
N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 55075065
2-methyl-N-[[5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 112665944
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 81068645
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
CID 112665724
N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
CID 79490040
N-[[5-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 82952810
2-methyl-N-[[5-(propan-2-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62458043

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine (CID 115987811) is N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)CC1CCC(CNCC(C)C)O1.
What is the InChIKey of N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is YWLUIZKKYKUMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2OS/c1-6-14(12-20-5)18(4)11-16-8-7-15(19-16)10-17-9-13(2)3/h13-17H,6-12H2,1-5H3.
What are the key properties of N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 302.53 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115987811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).