3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine

C13H26N2O2 — CID 103531968

IUPAC3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine
SMILESCOC1CN(C(C)(CN)CC2CC2)CC1OC
InChIInChI=1S/C13H26N2O2/c1-13(9-14,6-10-4-5-10)15-7-11(16-2)12(8-15)17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyCDGGVOAKKCBJQG-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds6

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

3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine (PubChem CID 103531968) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine
PubChem CID103531968
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine
SMILESCOC1CN(C(C)(CN)CC2CC2)CC1OC
InChIInChI=1S/C13H26N2O2/c1-13(9-14,6-10-4-5-10)15-7-11(16-2)12(8-15)17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyCDGGVOAKKCBJQG-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-(3-methoxypiperidin-1-yl)-2-methylpropan-1-amine
CID 102965180
2-(3,4-dimethoxypyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
CID 103531727
3-cyclobutyl-2-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 113489953
3-cyclopropyl-2-(4-cyclopropylpiperazin-1-yl)-2-methylpropan-1-amine
CID 113489986
(3R,4R)-1-tert-butyl-3,4-dimethoxypyrrolidine
CID 166649366
2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 102964995
2-(2,6-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropan-1-amine
CID 62534733
2-(3-methoxypyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 103531552
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
3-methoxy-2-(4-methoxypiperidin-1-yl)-2-methylpropan-1-amine
CID 62534739
[2-(3,4-dimethoxypyrrolidin-1-yl)cyclohexyl]methanamine
CID 103531219
2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-4-phenylbutan-1-amine
CID 102964881

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine (CID 103531968) is 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine is COC1CN(C(C)(CN)CC2CC2)CC1OC.
What is the InChIKey of 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine?
The InChIKey is CDGGVOAKKCBJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(9-14,6-10-4-5-10)15-7-11(16-2)12(8-15)17-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine?
3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 103531968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).