3-N-methoxypyrrolidine-1,3-diamine

C5H13N3O — CID 22361163

IUPAC3-N-methoxypyrrolidine-1,3-diamine
SMILESCONC1CCN(N)C1
InChIInChI=1S/C5H13N3O/c1-9-7-5-2-3-8(6)4-5/h5,7H,2-4,6H2,1H3
InChIKeyLJTNDOKHGHHDFP-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds2

About 3-N-methoxypyrrolidine-1,3-diamine

3-N-methoxypyrrolidine-1,3-diamine (PubChem CID 22361163) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-N-methoxypyrrolidine-1,3-diamine.

Molecular Properties

Compound Name3-N-methoxypyrrolidine-1,3-diamine
PubChem CID22361163
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name3-N-methoxypyrrolidine-1,3-diamine
SMILESCONC1CCN(N)C1
InChIInChI=1S/C5H13N3O/c1-9-7-5-2-3-8(6)4-5/h5,7H,2-4,6H2,1H3
InChIKeyLJTNDOKHGHHDFP-UHFFFAOYSA-N
XLogP-0.91
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methoxypyrrolidin-3-amine
CID 59857770
N-methoxypyrrolidin-3-amine
CID 14478540
3-N-methoxypyrrolidine-3,4-diamine
CID 21842690
3-N-methoxy-4-N-methylpyrrolidine-3,4-diamine
CID 21995485
1-methoxy-N-methylpyrrolidin-3-amine
CID 57586983
(3R)-1-methoxypyrrolidin-3-amine
CID 59857728
(3S)-1-methoxypyrrolidin-3-amine
CID 59857785
N-methoxy-1-methylpyrrolidin-3-amine
CID 82710716
1,3-Dimethyl-1-oxidopyrazolidin-1-ium
CID 87878218
2-Ethyl-3-methyl-1-oxidopyrazolidin-1-ium
CID 163643939
N-Methoxy-N-methylpyrrolidin-3-amine
CID 79462998
N-Ethyl-N-methoxypyrrolidin-3-amine
CID 130512981

Frequently Asked Questions

What is the IUPAC name of 3-N-methoxypyrrolidine-1,3-diamine?
The IUPAC name of 3-N-methoxypyrrolidine-1,3-diamine (CID 22361163) is 3-N-methoxypyrrolidine-1,3-diamine.
What is the SMILES notation for 3-N-methoxypyrrolidine-1,3-diamine?
The canonical SMILES for 3-N-methoxypyrrolidine-1,3-diamine is CONC1CCN(N)C1.
What is the InChIKey of 3-N-methoxypyrrolidine-1,3-diamine?
The InChIKey is LJTNDOKHGHHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-9-7-5-2-3-8(6)4-5/h5,7H,2-4,6H2,1H3.
What are the key properties of 3-N-methoxypyrrolidine-1,3-diamine?
3-N-methoxypyrrolidine-1,3-diamine has a molecular weight of 131.18 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methoxypyrrolidine-1,3-diamine is sourced from PubChem (CID 22361163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).