2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine

C12H26N2O — CID 117018662

IUPAC2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
SMILESCOCCCN1CC(CCN)CC1(C)C
InChIInChI=1S/C12H26N2O/c1-12(2)9-11(5-6-13)10-14(12)7-4-8-15-3/h11H,4-10,13H2,1-3H3
InChIKeyUFDNWEPNTUVSBY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine

2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine (PubChem CID 117018662) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
PubChem CID117018662
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
SMILESCOCCCN1CC(CCN)CC1(C)C
InChIInChI=1S/C12H26N2O/c1-12(2)9-11(5-6-13)10-14(12)7-4-8-15-3/h11H,4-10,13H2,1-3H3
InChIKeyUFDNWEPNTUVSBY-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
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-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018733
[1-(3-methoxypropyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020669
1-(3-methoxypropyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020247
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
CID 117017613
2-[6,6-dimethyl-1-(3-methylbutyl)piperidin-3-yl]ethanamine
CID 117021450
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018936
2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018513
2-cyclopropyl-1-(3-methoxypropyl)-2-methyl-5-propylpiperazine
CID 64839994
tert-butyl (4S)-4-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416435
[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018828

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine (CID 117018662) is 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine is COCCCN1CC(CCN)CC1(C)C.
What is the InChIKey of 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
The InChIKey is UFDNWEPNTUVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)9-11(5-6-13)10-14(12)7-4-8-15-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine?
2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 117018662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).