2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine

C11H23NOS — CID 102671626

IUPAC2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
SMILESCC(C)COCCNC1CCSC1C
InChIInChI=1S/C11H23NOS/c1-9(2)8-13-6-5-12-11-4-7-14-10(11)3/h9-12H,4-8H2,1-3H3
InChIKeyKDIDWOWWRIFWRT-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.14
Rot. Bonds6

About 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine

2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine (PubChem CID 102671626) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
PubChem CID102671626
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
SMILESCC(C)COCCNC1CCSC1C
InChIInChI=1S/C11H23NOS/c1-9(2)8-13-6-5-12-11-4-7-14-10(11)3/h9-12H,4-8H2,1-3H3
InChIKeyKDIDWOWWRIFWRT-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
CID 102731750
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106450291
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
CID 102671776
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
N-[2-(azepan-1-yl)ethyl]-2-methylthiolan-3-amine
CID 102671482
N',N'-diethyl-N-(2-methylthiolan-3-yl)propane-1,3-diamine
CID 102672813
N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine?
The IUPAC name of 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine (CID 102671626) is 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine is CC(C)COCCNC1CCSC1C.
What is the InChIKey of 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine?
The InChIKey is KDIDWOWWRIFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)8-13-6-5-12-11-4-7-14-10(11)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine?
2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine has a molecular weight of 217.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine is sourced from PubChem (CID 102671626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).