3-(3-methoxypyrrolidin-3-yl)propan-1-amine

C8H18N2O — CID 177005742

IUPAC3-(3-methoxypyrrolidin-3-yl)propan-1-amine
SMILESCOC1(CCCN)CCNC1
InChIInChI=1S/C8H18N2O/c1-11-8(3-2-5-9)4-6-10-7-8/h10H,2-7,9H2,1H3
InChIKeyBANJARSNFHNEEV-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.10
Rot. Bonds4

About 3-(3-methoxypyrrolidin-3-yl)propan-1-amine

3-(3-methoxypyrrolidin-3-yl)propan-1-amine (PubChem CID 177005742) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-3-yl)propan-1-amine
PubChem CID177005742
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(3-methoxypyrrolidin-3-yl)propan-1-amine
SMILESCOC1(CCCN)CCNC1
InChIInChI=1S/C8H18N2O/c1-11-8(3-2-5-9)4-6-10-7-8/h10H,2-7,9H2,1H3
InChIKeyBANJARSNFHNEEV-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-3-yl)propan-1-amine (CID 177005742) is 3-(3-methoxypyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-3-yl)propan-1-amine is COC1(CCCN)CCNC1.
What is the InChIKey of 3-(3-methoxypyrrolidin-3-yl)propan-1-amine?
The InChIKey is BANJARSNFHNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-8(3-2-5-9)4-6-10-7-8/h10H,2-7,9H2,1H3.
What are the key properties of 3-(3-methoxypyrrolidin-3-yl)propan-1-amine?
3-(3-methoxypyrrolidin-3-yl)propan-1-amine has a molecular weight of 158.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 177005742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).