3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine

C12H26N2O — CID 115919081

IUPAC3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
SMILESCOC(C)C(C)NC(C)CN1CCCC1
InChIInChI=1S/C12H26N2O/c1-10(9-14-7-5-6-8-14)13-11(2)12(3)15-4/h10-13H,5-9H2,1-4H3
InChIKeyLPTSSJVCQONSEU-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds6

About 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine

3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine (PubChem CID 115919081) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
PubChem CID115919081
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine
SMILESCOC(C)C(C)NC(C)CN1CCCC1
InChIInChI=1S/C12H26N2O/c1-10(9-14-7-5-6-8-14)13-11(2)12(3)15-4/h10-13H,5-9H2,1-4H3
InChIKeyLPTSSJVCQONSEU-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

N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
(2S)-N-phosphanyl-1-pyrrolidin-1-ylpropan-2-amine
CID 143859597
3-methoxy-N-(3-piperidin-1-ylpropyl)butan-2-amine
CID 115707779
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pentan-2-amine
CID 61471885
3-(1-pyrrolidin-1-ylpropan-2-ylamino)butanenitrile
CID 61473651
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
1-(2-methoxy-3-methylbutyl)piperidine
CID 171774550
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
5-methyl-N-(1-piperidin-1-ylpropan-2-yl)hexan-2-amine
CID 43749079

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine (CID 115919081) is 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine is COC(C)C(C)NC(C)CN1CCCC1.
What is the InChIKey of 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine?
The InChIKey is LPTSSJVCQONSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(9-14-7-5-6-8-14)13-11(2)12(3)15-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine?
3-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-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-N-(1-pyrrolidin-1-ylpropan-2-yl)butan-2-amine is sourced from PubChem (CID 115919081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).