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

C12H26N2O — CID 103225175

IUPAC3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CCCC1C
InChIInChI=1S/C12H26N2O/c1-10(2)13-8-12(9-15-4)14-7-5-6-11(14)3/h10-13H,5-9H2,1-4H3
InChIKeyXCGZUPAKCMYXAK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds6

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

3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 103225175) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID103225175
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CCCC1C
InChIInChI=1S/C12H26N2O/c1-10(2)13-8-12(9-15-4)14-7-5-6-11(14)3/h10-13H,5-9H2,1-4H3
InChIKeyXCGZUPAKCMYXAK-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpiperidin-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226831
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
3-methoxy-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 103225177
3-methoxy-N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503291
3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 103227363
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226460
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpropan-1-amine
CID 103225921
2-(5-ethyl-2-methylmorpholin-4-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226255
3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
CID 103225478
2-(2,4-dimethylpiperidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225963
3-methoxy-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propan-2-ylpropan-1-amine
CID 103227037

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine (CID 103225175) is 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)N1CCCC1C.
What is the InChIKey of 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is XCGZUPAKCMYXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-8-12(9-15-4)14-7-5-6-11(14)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine?
3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 6 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)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103225175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).