N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine

C14H21N3O — CID 83100511

IUPACN-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
SMILESc1cncc(CN2CCOCC2CNC2CC2)c1
InChIInChI=1S/C14H21N3O/c1-2-12(8-15-5-1)10-17-6-7-18-11-14(17)9-16-13-3-4-13/h1-2,5,8,13-14,16H,3-4,6-7,9-11H2
InChIKeyQLPDQECDSJPOMN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.03
Rot. Bonds5

About N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine

N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine (PubChem CID 83100511) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
PubChem CID83100511
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
SMILESc1cncc(CN2CCOCC2CNC2CC2)c1
InChIInChI=1S/C14H21N3O/c1-2-12(8-15-5-1)10-17-6-7-18-11-14(17)9-16-13-3-4-13/h1-2,5,8,13-14,16H,3-4,6-7,9-11H2
InChIKeyQLPDQECDSJPOMN-UHFFFAOYSA-N
XLogP1.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
N-[[4-[(2-methoxy-3-pyridinyl)methyl]morpholin-3-yl]methyl]cyclopropanamine
CID 83100593
(5aR,9aR)-1-(pyridin-3-ylmethyl)-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 173262654
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
(5aS,9aS)-8-ethylsulfonyl-1-(pyridin-3-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepine
CID 91915792
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine (CID 83100511) is N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine is c1cncc(CN2CCOCC2CNC2CC2)c1.
What is the InChIKey of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine?
The InChIKey is QLPDQECDSJPOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-12(8-15-5-1)10-17-6-7-18-11-14(17)9-16-13-3-4-13/h1-2,5,8,13-14,16H,3-4,6-7,9-11H2.
What are the key properties of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine?
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83100511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).