5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine

C12H24N2O — CID 106315064

IUPAC5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
SMILESCOCCCC(N)CN1CCC=C(C)C1
InChIInChI=1S/C12H24N2O/c1-11-5-3-7-14(9-11)10-12(13)6-4-8-15-2/h5,12H,3-4,6-10,13H2,1-2H3
InChIKeyKXUYSTWXRYQCOG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds6

About 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine

5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine (PubChem CID 106315064) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
PubChem CID106315064
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
SMILESCOCCCC(N)CN1CCC=C(C)C1
InChIInChI=1S/C12H24N2O/c1-11-5-3-7-14(9-11)10-12(13)6-4-8-15-2/h5,12H,3-4,6-10,13H2,1-2H3
InChIKeyKXUYSTWXRYQCOG-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 114490206
1-N-ethyl-5-methoxy-1-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 81102111
1-N-tert-butyl-5-methoxy-1-N-prop-2-enylpentane-1,2-diamine
CID 81812103
4-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315096
5-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113581639
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
CID 113588391
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
CID 113588393
1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
CID 114410617
1-(3,6-dihydro-2H-pyridin-1-yl)-4-methoxybutan-2-amine
CID 114410639
5-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410832
4-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 114410852

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine?
The IUPAC name of 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine (CID 106315064) is 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine?
The canonical SMILES for 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine is COCCCC(N)CN1CCC=C(C)C1.
What is the InChIKey of 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine?
The InChIKey is KXUYSTWXRYQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11-5-3-7-14(9-11)10-12(13)6-4-8-15-2/h5,12H,3-4,6-10,13H2,1-2H3.
What are the key properties of 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine?
5-methoxy-1-(5-methyl-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 5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine is sourced from PubChem (CID 106315064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).