N-(2-pyrrolidin-1-ylethoxy)methanamine

C7H16N2O — CID 117126758

IUPACN-(2-pyrrolidin-1-ylethoxy)methanamine
SMILESCNOCCN1CCCC1
InChIInChI=1S/C7H16N2O/c1-8-10-7-6-9-4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyIIIVLWCASLAAEB-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.23
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethoxy)methanamine

N-(2-pyrrolidin-1-ylethoxy)methanamine (PubChem CID 117126758) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethoxy)methanamine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethoxy)methanamine
PubChem CID117126758
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(2-pyrrolidin-1-ylethoxy)methanamine
SMILESCNOCCN1CCCC1
InChIInChI=1S/C7H16N2O/c1-8-10-7-6-9-4-2-3-5-9/h8H,2-7H2,1H3
InChIKeyIIIVLWCASLAAEB-UHFFFAOYSA-N
XLogP0.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl(2-pyrrolidin-1-yloxyethyl)azanium
CID 54081289
N-[2-(3-fluoropyrrolidin-1-yl)ethoxy]methanamine
CID 170278696
O-(2-(Pyrrolidin-1-yl)ethyl)hydroxylamine
CID 12109735
N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine
CID 59636290
O-(1-propylpyrrolidin-3-yl)hydroxylamine
CID 84107100
N-(1-ethylpyrrolidin-3-yl)oxymethanamine
CID 117126703
N-(3-pyrrolidin-1-ylpropoxy)methanamine
CID 117126803
Methanamine;2-pyrrolidin-1-ylethanol
CID 126573602
N,N-dimethyl-2-pyrrolidin-1-yloxyethanamine
CID 141086290
N-methoxymethanamine;1-methylpyrrolidine
CID 141862598
N-methyl-N-(2-pyrrolidin-1-ylethoxy)methanamine
CID 143098754
ethane;O-(2-pyrrolidin-1-ylethyl)hydroxylamine
CID 144617995

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethoxy)methanamine?
The IUPAC name of N-(2-pyrrolidin-1-ylethoxy)methanamine (CID 117126758) is N-(2-pyrrolidin-1-ylethoxy)methanamine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethoxy)methanamine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethoxy)methanamine is CNOCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethoxy)methanamine?
The InChIKey is IIIVLWCASLAAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-10-7-6-9-4-2-3-5-9/h8H,2-7H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylethoxy)methanamine?
N-(2-pyrrolidin-1-ylethoxy)methanamine has a molecular weight of 144.22 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethoxy)methanamine is sourced from PubChem (CID 117126758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).