N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

C17H27N3O — CID 62426370

IUPACN-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(CCc1ccncc1)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C17H27N3O/c1-20(11-8-14-6-9-18-10-7-14)13-17-5-4-16(21-17)12-19-15-2-3-15/h6-7,9-10,15-17,19H,2-5,8,11-13H2,1H3
InChIKeyZZCMDWRGWZAAAD-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.86
Rot. Bonds8

About N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62426370) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62426370
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCN(CCc1ccncc1)CC1CCC(CNC2CC2)O1
InChIInChI=1S/C17H27N3O/c1-20(11-8-14-6-9-18-10-7-14)13-17-5-4-16(21-17)12-19-15-2-3-15/h6-7,9-10,15-17,19H,2-5,8,11-13H2,1H3
InChIKeyZZCMDWRGWZAAAD-UHFFFAOYSA-N
XLogP1.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine
CID 3152148
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
(2-(Morpholin-4-yl)ethyl)(pyridin-4-ylmethyl)amine
CID 3152379
3-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]pyridine
CID 44345019
2-(Aminomethyl)-5-(3''-pyridinylethyl)tetrahydrofuran
CID 11492164
1-(Pyridin-4-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3150972
Pyridine, 4-(2-(2-(diethylamino)ethoxy)ethyl)-
CID 213815
(3-Methoxy-propyl)-pyridin-4-ylmethyl-amine
CID 3153474
N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 43099472
(2R)-2-(pyridin-4-ylmethylamino)butan-1-ol
CID 961331
2-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 44409947
2-Methyl-4-(2-pyridin-4-ylethyl)morpholine
CID 45801708

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62426370) is N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is CN(CCc1ccncc1)CC1CCC(CNC2CC2)O1.
What is the InChIKey of N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZZCMDWRGWZAAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-20(11-8-14-6-9-18-10-7-14)13-17-5-4-16(21-17)12-19-15-2-3-15/h6-7,9-10,15-17,19H,2-5,8,11-13H2,1H3.
What are the key properties of N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62426370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).