1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine

C13H27NOS — CID 115728210

IUPAC1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
SMILESCOCCC(NCC1(C)CCCS1)C(C)C
InChIInChI=1S/C13H27NOS/c1-11(2)12(6-8-15-4)14-10-13(3)7-5-9-16-13/h11-12,14H,5-10H2,1-4H3
InChIKeyMVKBHWQGHKEXBT-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.92
Rot. Bonds7

About 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine

1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine (PubChem CID 115728210) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
PubChem CID115728210
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
SMILESCOCCC(NCC1(C)CCCS1)C(C)C
InChIInChI=1S/C13H27NOS/c1-11(2)12(6-8-15-4)14-10-13(3)7-5-9-16-13/h11-12,14H,5-10H2,1-4H3
InChIKeyMVKBHWQGHKEXBT-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725460
3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 103409591
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
CID 80527869
N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
CID 115728225
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80528101
2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
CID 80726953

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
The IUPAC name of 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine (CID 115728210) is 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine is COCCC(NCC1(C)CCCS1)C(C)C.
What is the InChIKey of 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
The InChIKey is MVKBHWQGHKEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-11(2)12(6-8-15-4)14-10-13(3)7-5-9-16-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine?
1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine has a molecular weight of 245.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115728210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).