2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine

C13H28N2O — CID 103531449

IUPAC2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine
SMILESCOC1CCN(C(C)(CN)CCC(C)C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)5-7-13(3,10-14)15-8-6-12(9-15)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyLZABKJVHXCHZBB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine

2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine (PubChem CID 103531449) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine
PubChem CID103531449
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine
SMILESCOC1CCN(C(C)(CN)CCC(C)C)C1
InChIInChI=1S/C13H28N2O/c1-11(2)5-7-13(3,10-14)15-8-6-12(9-15)16-4/h11-12H,5-10,14H2,1-4H3
InChIKeyLZABKJVHXCHZBB-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-Trifluoro-2-(3-methoxypyrrolidin-1-yl)-2-methylhexan-1-amine
CID 103531686
2-(3,4-Dimethoxypyrrolidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 103531933
2,2-Diethyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 57623271
(3R,4R)-4-methoxy-N,1,3-trimethylpyrrolidin-3-amine
CID 89681831
N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine
CID 91411938
1-[4-ethyl-1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 123163090
6-Methoxy-4-methyl-4-azaspiro[2.4]heptan-7-amine
CID 142528315
(8R)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane
CID 166567333
(8S)-2-tert-butyl-8-methoxy-5-methyl-2,5-diazaspiro[3.4]octane
CID 166567335
(3R)-1-tert-butyl-4-methoxy-N,N,5,5-tetramethylpyrrolidin-3-amine
CID 168820472
(3S)-1-tert-butyl-4-methoxy-N,N,5,5-tetramethylpyrrolidin-3-amine
CID 168821094
N,N-dimethyl-1-[2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanamine
CID 176568717

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine (CID 103531449) is 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine is COC1CCN(C(C)(CN)CCC(C)C)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine?
The InChIKey is LZABKJVHXCHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)5-7-13(3,10-14)15-8-6-12(9-15)16-4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine?
2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-2,5-dimethylhexan-1-amine is sourced from PubChem (CID 103531449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).