N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 81250859

IUPACN-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCN1CCCC1CCOc1ccncc1CNC1CC1
InChIInChI=1S/C16H25N3O/c1-19-9-2-3-15(19)7-10-20-16-6-8-17-11-13(16)12-18-14-4-5-14/h6,8,11,14-15,18H,2-5,7,9-10,12H2,1H3
InChIKeyHLNNASFISBMYDM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds7

About N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250859) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250859
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESCN1CCCC1CCOc1ccncc1CNC1CC1
InChIInChI=1S/C16H25N3O/c1-19-9-2-3-15(19)7-10-20-16-6-8-17-11-13(16)12-18-14-4-5-14/h6,8,11,14-15,18H,2-5,7,9-10,12H2,1H3
InChIKeyHLNNASFISBMYDM-UHFFFAOYSA-N
XLogP2.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 81251005
[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methanol
CID 81238136
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]-4-pyridinyl]methyl]ethanamine
CID 105075391
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
[4-[(1-methylpiperidin-2-yl)methoxy]-3-pyridinyl]methanamine
CID 81250968
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 81250859) is N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine is CN1CCCC1CCOc1ccncc1CNC1CC1.
What is the InChIKey of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is HLNNASFISBMYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19-9-2-3-15(19)7-10-20-16-6-8-17-11-13(16)12-18-14-4-5-14/h6,8,11,14-15,18H,2-5,7,9-10,12H2,1H3.
What are the key properties of N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).