N-cyclopropyloxymethanamine;1-methylpyrrolidine

C9H20N2O — CID 166533188

IUPACN-cyclopropyloxymethanamine;1-methylpyrrolidine
SMILESCN1CCCC1.CNOC1CC1
InChIInChI=1S/C5H11N.C4H9NO/c1-6-4-2-3-5-6;1-5-6-4-2-3-4/h2-5H2,1H3;4-5H,2-3H2,1H3
InChIKeyLCXUZKJOBVGJPN-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.01
Rot. Bonds2

About N-cyclopropyloxymethanamine;1-methylpyrrolidine

N-cyclopropyloxymethanamine;1-methylpyrrolidine (PubChem CID 166533188) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-cyclopropyloxymethanamine;1-methylpyrrolidine.

Molecular Properties

Compound NameN-cyclopropyloxymethanamine;1-methylpyrrolidine
PubChem CID166533188
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-cyclopropyloxymethanamine;1-methylpyrrolidine
SMILESCN1CCCC1.CNOC1CC1
InChIInChI=1S/C5H11N.C4H9NO/c1-6-4-2-3-5-6;1-5-6-4-2-3-4/h2-5H2,1H3;4-5H,2-3H2,1H3
InChIKeyLCXUZKJOBVGJPN-UHFFFAOYSA-N
XLogP1.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpyrrolidin-3-yl)oxymethanamine
CID 117126703
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
1,1-dimethylcyclopropane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 153375971
O-cyclopropylhydroxylamine;1-methylpyrrolidine
CID 166533297
1-methylpyrrolidine;N-propan-2-yloxymethanamine
CID 166533682
1-methylpyrrolidine;O-propan-2-ylhydroxylamine
CID 166533947
O-cyclopropylhydroxylamine;ethane;1-methylpyrrolidine
CID 166533960
ethane;1-methylpyrrolidine;O-propan-2-ylhydroxylamine
CID 169182154
ethane;N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 177004561
N-(4-pyrrolidin-1-ylbutoxy)methanamine
CID 117126913
O-[4-(pyrrolidin-1-yl)butan-2-yl]hydroxylamine
CID 165681367

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyloxymethanamine;1-methylpyrrolidine?
The IUPAC name of N-cyclopropyloxymethanamine;1-methylpyrrolidine (CID 166533188) is N-cyclopropyloxymethanamine;1-methylpyrrolidine.
What is the SMILES notation for N-cyclopropyloxymethanamine;1-methylpyrrolidine?
The canonical SMILES for N-cyclopropyloxymethanamine;1-methylpyrrolidine is CN1CCCC1.CNOC1CC1.
What is the InChIKey of N-cyclopropyloxymethanamine;1-methylpyrrolidine?
The InChIKey is LCXUZKJOBVGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H9NO/c1-6-4-2-3-5-6;1-5-6-4-2-3-4/h2-5H2,1H3;4-5H,2-3H2,1H3.
What are the key properties of N-cyclopropyloxymethanamine;1-methylpyrrolidine?
N-cyclopropyloxymethanamine;1-methylpyrrolidine has a molecular weight of 172.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyloxymethanamine;1-methylpyrrolidine is sourced from PubChem (CID 166533188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).