1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine

C12H24N2O — CID 114410937

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O/c1-3-4-12(13)9-14-7-5-11(6-8-14)10-15-2/h5,12H,3-4,6-10,13H2,1-2H3
InChIKeyISEDNFVNBGYNCR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds6

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (PubChem CID 114410937) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
PubChem CID114410937
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CC=C(COC)CC1
InChIInChI=1S/C12H24N2O/c1-3-4-12(13)9-14-7-5-11(6-8-14)10-15-2/h5,12H,3-4,6-10,13H2,1-2H3
InChIKeyISEDNFVNBGYNCR-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227335
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227336
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227338
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 103227341
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227342
5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 106315064

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine (CID 114410937) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is CCCC(N)CN1CC=C(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
The InChIKey is ISEDNFVNBGYNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-12(13)9-14-7-5-11(6-8-14)10-15-2/h5,12H,3-4,6-10,13H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine is sourced from PubChem (CID 114410937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).