2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine

C12H26N2O — CID 104760546

IUPAC2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESCOC(C)(C)CNCCCN1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2,15-3)11-13-7-6-10-14-8-4-5-9-14/h13H,4-11H2,1-3H3
InChIKeyVUSQXJDGJJPGMW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine

2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (PubChem CID 104760546) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
PubChem CID104760546
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
SMILESCOC(C)(C)CNCCCN1CCCC1
InChIInChI=1S/C12H26N2O/c1-12(2,15-3)11-13-7-6-10-14-8-4-5-9-14/h13H,4-11H2,1-3H3
InChIKeyVUSQXJDGJJPGMW-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62989599
2,2-dimethyl-3-(3-piperidin-1-ylpropylamino)propan-1-ol
CID 81414181
2,2-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)propan-1-ol
CID 81414259
2-methyl-1-(3-pyrrolidin-1-ylpropylamino)butan-2-ol
CID 65111581
1-(2-methoxy-2-methylpropyl)piperidine
CID 23384646
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
3-methoxy-2-methyl-N-(3-piperidin-1-ylpropyl)propan-1-amine
CID 116500788

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine (CID 104760546) is 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine is COC(C)(C)CNCCCN1CCCC1.
What is the InChIKey of 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
The InChIKey is VUSQXJDGJJPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,15-3)11-13-7-6-10-14-8-4-5-9-14/h13H,4-11H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine?
2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 104760546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).