(3-methoxypyrrolidin-1-yl)methanediamine

C6H15N3O — CID 166901507

IUPAC(3-methoxypyrrolidin-1-yl)methanediamine
SMILESCOC1CCN(C(N)N)C1
InChIInChI=1S/C6H15N3O/c1-10-5-2-3-9(4-5)6(7)8/h5-6H,2-4,7-8H2,1H3
InChIKeyDXSPWFYMZQKCBL-UHFFFAOYSA-N
MW145.21 g/mol
LogP-1.09
Rot. Bonds2

About (3-methoxypyrrolidin-1-yl)methanediamine

(3-methoxypyrrolidin-1-yl)methanediamine (PubChem CID 166901507) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)methanediamine.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)methanediamine
PubChem CID166901507
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name(3-methoxypyrrolidin-1-yl)methanediamine
SMILESCOC1CCN(C(N)N)C1
InChIInChI=1S/C6H15N3O/c1-10-5-2-3-9(4-5)6(7)8/h5-6H,2-4,7-8H2,1H3
InChIKeyDXSPWFYMZQKCBL-UHFFFAOYSA-N
XLogP-1.09
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3-methoxypyrrolidin-1-yl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)methanediamine?
The IUPAC name of (3-methoxypyrrolidin-1-yl)methanediamine (CID 166901507) is (3-methoxypyrrolidin-1-yl)methanediamine.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)methanediamine?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)methanediamine is COC1CCN(C(N)N)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)methanediamine?
The InChIKey is DXSPWFYMZQKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-10-5-2-3-9(4-5)6(7)8/h5-6H,2-4,7-8H2,1H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)methanediamine?
(3-methoxypyrrolidin-1-yl)methanediamine has a molecular weight of 145.21 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)methanediamine is sourced from PubChem (CID 166901507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).