N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C15H23N3O2 — CID 103539487

IUPACN-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCOC1CN(c2cccc(CNC3CC3)n2)CC1OC
InChIInChI=1S/C15H23N3O2/c1-19-13-9-18(10-14(13)20-2)15-5-3-4-12(17-15)8-16-11-6-7-11/h3-5,11,13-14,16H,6-10H2,1-2H3
InChIKeyCCQNIFJCHZELMN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds6

About N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 103539487) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID103539487
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCOC1CN(c2cccc(CNC3CC3)n2)CC1OC
InChIInChI=1S/C15H23N3O2/c1-19-13-9-18(10-14(13)20-2)15-5-3-4-12(17-15)8-16-11-6-7-11/h3-5,11,13-14,16H,6-10H2,1-2H3
InChIKeyCCQNIFJCHZELMN-UHFFFAOYSA-N
XLogP1.18
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 103539487) is N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is COC1CN(c2cccc(CNC3CC3)n2)CC1OC.
What is the InChIKey of N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CCQNIFJCHZELMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-19-13-9-18(10-14(13)20-2)15-5-3-4-12(17-15)8-16-11-6-7-11/h3-5,11,13-14,16H,6-10H2,1-2H3.
What are the key properties of N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 277.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103539487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).