2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine

C13H27NOS — CID 114535061

IUPAC2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCSCCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C13H27NOS/c1-11(2)9-14-10-13(6-8-16-4)5-7-15-12(13)3/h11-12,14H,5-10H2,1-4H3
InChIKeyLSJZNSRSKQLFFR-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.78
Rot. Bonds7

About 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 114535061) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID114535061
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCSCCC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C13H27NOS/c1-11(2)9-14-10-13(6-8-16-4)5-7-15-12(13)3/h11-12,14H,5-10H2,1-4H3
InChIKeyLSJZNSRSKQLFFR-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124
2-methyl-N-[[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535177
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
CID 114535108
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535154
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 103412755
2-methyl-N-[[2-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535136
N-[[2-methyl-3-(3-methylsulfanylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 114534915
N-[[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535116
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535172
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 106457308
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535168
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine (CID 114535061) is 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine is CSCCC1(CNCC(C)C)CCOC1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is LSJZNSRSKQLFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-11(2)9-14-10-13(6-8-16-4)5-7-15-12(13)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-(2-methylsulfanylethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114535061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).