[1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine

C10H22N2O — CID 62068213

IUPAC[1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine
SMILESCOCCC(C)N1CCC(CN)C1
InChIInChI=1S/C10H22N2O/c1-9(4-6-13-2)12-5-3-10(7-11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyIXRQTBHACKNYGF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

About [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine

[1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62068213) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID62068213
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine
SMILESCOCCC(C)N1CCC(CN)C1
InChIInChI=1S/C10H22N2O/c1-9(4-6-13-2)12-5-3-10(7-11)8-12/h9-10H,3-8,11H2,1-2H3
InChIKeyIXRQTBHACKNYGF-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine (CID 62068213) is [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine is COCCC(C)N1CCC(CN)C1.
What is the InChIKey of [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is IXRQTBHACKNYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(4-6-13-2)12-5-3-10(7-11)8-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine?
[1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutan-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62068213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).