[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine

C11H24N2O — CID 103034833

IUPAC[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
SMILESCOC(C)(C)CCN1CCC(CN)C1
InChIInChI=1S/C11H24N2O/c1-11(2,14-3)5-7-13-6-4-10(8-12)9-13/h10H,4-9,12H2,1-3H3
InChIKeyLPXFIDGQUBXODN-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds5

About [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine

[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine (PubChem CID 103034833) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
PubChem CID103034833
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine
SMILESCOC(C)(C)CCN1CCC(CN)C1
InChIInChI=1S/C11H24N2O/c1-11(2,14-3)5-7-13-6-4-10(8-12)9-13/h10H,4-9,12H2,1-3H3
InChIKeyLPXFIDGQUBXODN-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroethyl)-1-(3-methoxy-3-methylbutyl)pyrrolidine
CID 103037292
3-ethyl-1-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 103032483
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
1-(3-methoxy-3-methylbutyl)piperidine-4-carbonitrile
CID 102977110
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
2-[1-(3-methoxy-3-methylbutyl)azetidin-3-yl]acetic acid
CID 103034713
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 104567928
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine (CID 103034833) is [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine is COC(C)(C)CCN1CCC(CN)C1.
What is the InChIKey of [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine?
The InChIKey is LPXFIDGQUBXODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,14-3)5-7-13-6-4-10(8-12)9-13/h10H,4-9,12H2,1-3H3.
What are the key properties of [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine?
[1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-3-methylbutyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 103034833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).