N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine

C10H22N2O — CID 117126823

IUPACN-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine
SMILESCCN1CCC(CCCONC)C1
InChIInChI=1S/C10H22N2O/c1-3-12-7-6-10(9-12)5-4-8-13-11-2/h10-11H,3-9H2,1-2H3
InChIKeyFHBCOXGDJADNBI-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine

N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine (PubChem CID 117126823) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine.

Molecular Properties

Compound NameN-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine
PubChem CID117126823
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine
SMILESCCN1CCC(CCCONC)C1
InChIInChI=1S/C10H22N2O/c1-3-12-7-6-10(9-12)5-4-8-13-11-2/h10-11H,3-9H2,1-2H3
InChIKeyFHBCOXGDJADNBI-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.26
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

1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
1,3-diethylpyrrolidine;ethane
CID 145103245
(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
CID 39733025
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60909797
4-butyl-1-ethylpiperidine;hydrofluoride
CID 175875172
1,3-diethylpyrrolidine;formonitrile
CID 175874911
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
CID 173019176
methyl 2-(1-ethylpyrrolidin-3-yl)acetate
CID 83980600
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine
CID 117126787

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine?
The IUPAC name of N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine (CID 117126823) is N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine.
What is the SMILES notation for N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine?
The canonical SMILES for N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine is CCN1CCC(CCCONC)C1.
What is the InChIKey of N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine?
The InChIKey is FHBCOXGDJADNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-12-7-6-10(9-12)5-4-8-13-11-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine?
N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine has a molecular weight of 186.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylpyrrolidin-3-yl)propoxy]methanamine is sourced from PubChem (CID 117126823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).