3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine

C9H20N2O — CID 103225177

IUPAC3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCOCC(CN)N1CCCC1C
InChIInChI=1S/C9H20N2O/c1-8-4-3-5-11(8)9(6-10)7-12-2/h8-9H,3-7,10H2,1-2H3
InChIKeyNLSMTNQHKHMENX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds4

About 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine

3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 103225177) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID103225177
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCOCC(CN)N1CCCC1C
InChIInChI=1S/C9H20N2O/c1-8-4-3-5-11(8)9(6-10)7-12-2/h8-9H,3-7,10H2,1-2H3
InChIKeyNLSMTNQHKHMENX-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methoxypropan-1-amine
CID 103227391
2-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103226041
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103225175
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
2-(2,4-dimethylpyrrolidin-1-yl)-3-methoxypropan-1-amine
CID 103227319
4-ethylsulfanyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 116504003
2-(2-methylpyrrolidin-1-yl)octan-1-amine
CID 60975076
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-3-(2-methylpiperidin-1-yl)butanamide
CID 66426676

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine (CID 103225177) is 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine is COCC(CN)N1CCCC1C.
What is the InChIKey of 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is NLSMTNQHKHMENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-4-3-5-11(8)9(6-10)7-12-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine?
3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 103225177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).