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

C15H23N3O2 — CID 103539475

IUPACN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCOC1CN(c2cc(CNC3CC3)ccn2)CC1OC
InChIInChI=1S/C15H23N3O2/c1-19-13-9-18(10-14(13)20-2)15-7-11(5-6-16-15)8-17-12-3-4-12/h5-7,12-14,17H,3-4,8-10H2,1-2H3
InChIKeyBMSPORSQRGPDPO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds6

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

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 103539475) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID103539475
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCOC1CN(c2cc(CNC3CC3)ccn2)CC1OC
InChIInChI=1S/C15H23N3O2/c1-19-13-9-18(10-14(13)20-2)15-7-11(5-6-16-15)8-17-12-3-4-12/h5-7,12-14,17H,3-4,8-10H2,1-2H3
InChIKeyBMSPORSQRGPDPO-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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Related Compounds

[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methanamine
CID 103530760
N-[[2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589213
N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62283972
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487
1-[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 103539385
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535965
4-(chloromethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)pyridine
CID 102965947
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 113336197
N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574
N-[(2-methoxy-4-pyridinyl)methyl]-1-pyrazin-2-ylpiperidin-3-amine
CID 176549679
N-[[2-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539400

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 103539475) is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is COC1CN(c2cc(CNC3CC3)ccn2)CC1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is BMSPORSQRGPDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-19-13-9-18(10-14(13)20-2)15-7-11(5-6-16-15)8-17-12-3-4-12/h5-7,12-14,17H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-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-[[2-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 103539475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).