(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine

C8H18N2O — CID 126985147

IUPAC(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
SMILESCCN1CC(OC)CC1CN
InChIInChI=1S/C8H18N2O/c1-3-10-6-8(11-2)4-7(10)5-9/h7-8H,3-6,9H2,1-2H3
InChIKeyIDVRNXGURLMVSL-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.05
Rot. Bonds3

About (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine

(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine (PubChem CID 126985147) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
PubChem CID126985147
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
SMILESCCN1CC(OC)CC1CN
InChIInChI=1S/C8H18N2O/c1-3-10-6-8(11-2)4-7(10)5-9/h7-8H,3-6,9H2,1-2H3
InChIKeyIDVRNXGURLMVSL-UHFFFAOYSA-N
XLogP0.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine (CID 126985147) is (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine is CCN1CC(OC)CC1CN.
What is the InChIKey of (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine?
The InChIKey is IDVRNXGURLMVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10-6-8(11-2)4-7(10)5-9/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine?
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine has a molecular weight of 158.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrrolidin-2-yl)methanamine is sourced from PubChem (CID 126985147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).