2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine

C13H28N2O2 — CID 103531727

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
SMILESCOC1CN(C(C)(CN)CC(C)C)CC1OC
InChIInChI=1S/C13H28N2O2/c1-10(2)6-13(3,9-14)15-7-11(16-4)12(8-15)17-5/h10-12H,6-9,14H2,1-5H3
InChIKeyBYPXMQGIUJALDD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds6

About 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine (PubChem CID 103531727) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
PubChem CID103531727
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
SMILESCOC1CN(C(C)(CN)CC(C)C)CC1OC
InChIInChI=1S/C13H28N2O2/c1-10(2)6-13(3,9-14)15-7-11(16-4)12(8-15)17-5/h10-12H,6-9,14H2,1-5H3
InChIKeyBYPXMQGIUJALDD-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-Dimethoxypyrrolidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 103531933
1-[3-(2-Methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120854725
1-[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 126509706
3-[2-(4-Methyl-1-pyrrolidin-1-ylpentan-2-yl)oxyethoxy]propan-1-amine
CID 137510495
2-[2-(4-Methyl-1-pyrrolidin-1-ylpentan-2-yl)oxyethoxy]ethanamine
CID 137510496
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2,4-dimethylpentane-1,2-diamine
CID 54985471
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-2-methylpentane-1,2-diamine
CID 54985621
2-N,2-N-bis(2-methoxyethyl)-2,4-dimethylpentane-1,2-diamine
CID 60709782
3-Methoxy-2-methyl-2-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62536452
2-(2,2-Dimethylpyrrolidin-1-yl)-3-methoxy-2-methylpropan-1-amine
CID 63216410
2-methoxy-N-(2-methoxyethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 64385431
N-(2-methoxyethyl)-2-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 64385635

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine (CID 103531727) is 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine is COC1CN(C(C)(CN)CC(C)C)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine?
The InChIKey is BYPXMQGIUJALDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)6-13(3,9-14)15-7-11(16-4)12(8-15)17-5/h10-12H,6-9,14H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 103531727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).