N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine

C11H24N2O — CID 60925537

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine
SMILESCCN1CCC(CNCCCOC)C1
InChIInChI=1S/C11H24N2O/c1-3-13-7-5-11(10-13)9-12-6-4-8-14-2/h11-12H,3-10H2,1-2H3
InChIKeyHHUNZCCDBOYUBH-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds7

About N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine (PubChem CID 60925537) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine
PubChem CID60925537
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine
SMILESCCN1CCC(CNCCCOC)C1
InChIInChI=1S/C11H24N2O/c1-3-13-7-5-11(10-13)9-12-6-4-8-14-2/h11-12H,3-10H2,1-2H3
InChIKeyHHUNZCCDBOYUBH-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanamine
CID 17389989
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961971
N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961972
4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-2-amine
CID 61870675
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61892790
[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 62063790
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 63267793
3,3,3-Trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propan-1-amine
CID 103366371
3-methoxy-3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butan-1-amine
CID 106675359
N-[(3-methyloxetan-3-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 113934428

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine (CID 60925537) is N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine is CCN1CCC(CNCCCOC)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine?
The InChIKey is HHUNZCCDBOYUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-13-7-5-11(10-13)9-12-6-4-8-14-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 60925537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).