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

C13H24N2O — CID 114411060

IUPACN-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCOCC1=CCN(CCNCC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-16-11-13-4-7-15(8-5-13)9-6-14-10-12-2-3-12/h4,12,14H,2-3,5-11H2,1H3
InChIKeyABYHEPUSEXPYGF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (PubChem CID 114411060) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
PubChem CID114411060
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
SMILESCOCC1=CCN(CCNCC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-16-11-13-4-7-15(8-5-13)9-6-14-10-12-2-3-12/h4,12,14H,2-3,5-11H2,1H3
InChIKeyABYHEPUSEXPYGF-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385
4-(methoxymethyl)-1-(3-pyrrolidin-3-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114411004
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
CID 114413409
N-[3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropyl]cyclopropanamine
CID 114413482
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114410986
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114411039
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 114411038
[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003393
N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine
CID 107455773

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine (CID 114411060) is N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is COCC1=CCN(CCNCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
The InChIKey is ABYHEPUSEXPYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-16-11-13-4-7-15(8-5-13)9-6-14-10-12-2-3-12/h4,12,14H,2-3,5-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine?
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine is sourced from PubChem (CID 114411060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).