N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine

C12H25NOS — CID 103034615

IUPACN-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine
SMILESCCNC1CSCC1CCC(C)(C)OC
InChIInChI=1S/C12H25NOS/c1-5-13-11-9-15-8-10(11)6-7-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyBFXNJTBUEYQSQZ-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.53
Rot. Bonds6

About N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine

N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine (PubChem CID 103034615) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine
PubChem CID103034615
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine
SMILESCCNC1CSCC1CCC(C)(C)OC
InChIInChI=1S/C12H25NOS/c1-5-13-11-9-15-8-10(11)6-7-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyBFXNJTBUEYQSQZ-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutyl)-N-propylthiolan-3-amine
CID 83196626
N-ethyl-3-(3-methoxy-3-methylbutyl)cyclopentan-1-amine
CID 103037532
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
CID 103019848
2-(3-methoxy-3-methylbutyl)-N-methyl-4-propylcyclohexan-1-amine
CID 103034583
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
4-octyl-N-propylthiolan-3-amine
CID 83196109
N-[[2-(3-methoxy-3-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 103019860
2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol
CID 103036460
4-butyl-N-methylthiolan-3-amine
CID 83195974
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
N-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]thiolan-3-amine
CID 83196309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine?
The IUPAC name of N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine (CID 103034615) is N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine?
The canonical SMILES for N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine is CCNC1CSCC1CCC(C)(C)OC.
What is the InChIKey of N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine?
The InChIKey is BFXNJTBUEYQSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-5-13-11-9-15-8-10(11)6-7-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine?
N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine has a molecular weight of 231.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxy-3-methylbutyl)thiolan-3-amine is sourced from PubChem (CID 103034615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).