N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

C13H28N2O — CID 103540057

IUPACN-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCOC1CCN(CCNCCC(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)6-7-14-8-10-15-9-5-12(11-15)16-4/h12,14H,5-11H2,1-4H3
InChIKeyWQOQFUUROIOIGM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 103540057) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID103540057
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCOC1CCN(CCNCCC(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)6-7-14-8-10-15-9-5-12(11-15)16-4/h12,14H,5-11H2,1-4H3
InChIKeyWQOQFUUROIOIGM-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
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

N-(2-methoxyethyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103534749
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 103532099
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]prop-2-yn-1-amine
CID 103534621
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62556729
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
N-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]-N,2-dimethylpropan-2-amine
CID 166567478
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine (CID 103540057) is N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is COC1CCN(CCNCCC(C)(C)C)C1.
What is the InChIKey of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is WQOQFUUROIOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)6-7-14-8-10-15-9-5-12(11-15)16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine?
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 103540057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).