1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine

C8H17N3O — CID 57241047

IUPAC1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine
SMILESNC1CCN(CONC2CC2)C1
InChIInChI=1S/C8H17N3O/c9-7-3-4-11(5-7)6-12-10-8-1-2-8/h7-8,10H,1-6,9H2
InChIKeyOPSKESLRRSQCCB-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.34
Rot. Bonds4

About 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine

1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine (PubChem CID 57241047) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine
PubChem CID57241047
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine
SMILESNC1CCN(CONC2CC2)C1
InChIInChI=1S/C8H17N3O/c9-7-3-4-11(5-7)6-12-10-8-1-2-8/h7-8,10H,1-6,9H2
InChIKeyOPSKESLRRSQCCB-UHFFFAOYSA-N
XLogP-0.34
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxypyrrolidin-3-amine
CID 59857770
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710656
(3R)-1-methoxypyrrolidin-3-amine
CID 59857728
(3S)-1-methoxypyrrolidin-3-amine
CID 59857785
4-[(methoxyamino)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 59956566
N-ethoxy-1-methylpyrrolidin-3-amine
CID 82709120
N-methoxy-1-methylpyrrolidin-3-amine
CID 82710716
N'-(piperazin-1-ylmethoxy)ethane-1,2-diamine;pyrrolidin-3-amine
CID 88464135
N'-cyclopropyl-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 61494106
N-(1-cyclopropylpyrrolidin-3-yl)hydroxylamine
CID 82685042
1-cyclopropyl-N-methoxypyrrolidin-3-amine
CID 82706402
N-methoxy-1-propan-2-ylpyrrolidin-3-amine
CID 82706683

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine (CID 57241047) is 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine is NC1CCN(CONC2CC2)C1.
What is the InChIKey of 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine?
The InChIKey is OPSKESLRRSQCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-7-3-4-11(5-7)6-12-10-8-1-2-8/h7-8,10H,1-6,9H2.
What are the key properties of 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine?
1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine has a molecular weight of 171.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopropylamino)oxymethyl]pyrrolidin-3-amine is sourced from PubChem (CID 57241047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).