(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine

C14H21N3O — CID 114056413

IUPAC(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
SMILESCOCC1=CCN(c2ncccc2[C@@H](C)N)CC1
InChIInChI=1S/C14H21N3O/c1-11(15)13-4-3-7-16-14(13)17-8-5-12(6-9-17)10-18-2/h3-5,7,11H,6,8-10,15H2,1-2H3/t11-/m1/s1
InChIKeyQKGIZGUQXHVOCO-LLVKDONJSA-N
MW247.34 g/mol
LogP1.88
Rot. Bonds4

About (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine

(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine (PubChem CID 114056413) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
PubChem CID114056413
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine
SMILESCOCC1=CCN(c2ncccc2[C@@H](C)N)CC1
InChIInChI=1S/C14H21N3O/c1-11(15)13-4-3-7-16-14(13)17-8-5-12(6-9-17)10-18-2/h3-5,7,11H,6,8-10,15H2,1-2H3/t11-/m1/s1
InChIKeyQKGIZGUQXHVOCO-LLVKDONJSA-N
XLogP1.88
TPSA51.38 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114412419
1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanone
CID 114055607
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carboxylic acid
CID 107063089
(1R)-1-[2-fluoro-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921351
1-[2-(4-methylazepan-1-yl)-3-pyridinyl]ethanamine
CID 114056181
(1R)-1-[2-(3-ethylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114055863
(1R)-1-[3-bromo-4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanamine
CID 104921334
(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 114056368
2-(2-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 83882581

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine (CID 114056413) is (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine is COCC1=CCN(c2ncccc2[C@@H](C)N)CC1.
What is the InChIKey of (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine?
The InChIKey is QKGIZGUQXHVOCO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(15)13-4-3-7-16-14(13)17-8-5-12(6-9-17)10-18-2/h3-5,7,11H,6,8-10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine?
(1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).