3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

C13H28N2O — CID 106981871

IUPAC3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCOCCCN(C)CC1(C(C)C)CCNC1
InChIInChI=1S/C13H28N2O/c1-12(2)13(6-7-14-10-13)11-15(3)8-5-9-16-4/h12,14H,5-11H2,1-4H3
InChIKeyVNJYCBOVBOGJLD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds7

About 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine

3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 106981871) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID106981871
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCOCCCN(C)CC1(C(C)C)CCNC1
InChIInChI=1S/C13H28N2O/c1-12(2)13(6-7-14-10-13)11-15(3)8-5-9-16-4/h12,14H,5-11H2,1-4H3
InChIKeyVNJYCBOVBOGJLD-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
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

1-[(3S,4S)-4-ethyl-4-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine
CID 130225399
5-Propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 177200703
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 24275338
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792835
N-[[1-(3-methoxy-2-methylpropyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081256
N-(3-methoxypropyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55140119
N-(2-methoxyethyl)-2-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 55166129
3-methoxy-N-(2-methoxyethyl)-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 55166320
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine
CID 60925537
3-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 60925634
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62511931
N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512090

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine (CID 106981871) is 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is COCCCN(C)CC1(C(C)C)CCNC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is VNJYCBOVBOGJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)13(6-7-14-10-13)11-15(3)8-5-9-16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine?
3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 106981871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).