N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine

C14H21N3O — CID 105364324

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ncccc1CNC1CCN2CCC1C2
InChIInChI=1S/C14H21N3O/c1-18-14-11(3-2-6-15-14)9-16-13-5-8-17-7-4-12(13)10-17/h2-3,6,12-13,16H,4-5,7-10H2,1H3
InChIKeyVKELMWQHDATKIJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.27
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364324) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364324
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ncccc1CNC1CCN2CCC1C2
InChIInChI=1S/C14H21N3O/c1-18-14-11(3-2-6-15-14)9-16-13-5-8-17-7-4-12(13)10-17/h2-3,6,12-13,16H,4-5,7-10H2,1H3
InChIKeyVKELMWQHDATKIJ-UHFFFAOYSA-N
XLogP1.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine with MolForge

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Related Compounds

(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95228435
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
CID 105364937
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 60859803
(3R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95193256
N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 66630014
4-[(2-methoxy-3-pyridinyl)methylamino]oxolan-3-ol
CID 60908729
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[(2-methoxy-3-pyridinyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60859005
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364324) is N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine is COc1ncccc1CNC1CCN2CCC1C2.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is VKELMWQHDATKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-14-11(3-2-6-15-14)9-16-13-5-8-17-7-4-12(13)10-17/h2-3,6,12-13,16H,4-5,7-10H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 247.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).