1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine

C11H22N2O — CID 114410617

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)CN1CC=CCC1
InChIInChI=1S/C11H22N2O/c1-14-9-5-6-11(12)10-13-7-3-2-4-8-13/h2-3,11H,4-10,12H2,1H3
InChIKeySVEYAYMPVGMCIV-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds6

About 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine

1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine (PubChem CID 114410617) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
PubChem CID114410617
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)CN1CC=CCC1
InChIInChI=1S/C11H22N2O/c1-14-9-5-6-11(12)10-13-7-3-2-4-8-13/h2-3,11H,4-10,12H2,1H3
InChIKeySVEYAYMPVGMCIV-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
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
5-methoxy-1-N,1-N-bis(prop-2-enyl)pentane-1,2-diamine
CID 81101853
5-methoxy-1-N-methyl-1-N-prop-2-enylpentane-1,2-diamine
CID 81811140
5-methoxy-1-N-prop-2-enyl-1-N-propylpentane-1,2-diamine
CID 81811604
1-N-ethyl-5-methoxy-1-N-prop-2-enylpentane-1,2-diamine
CID 81811791
1-N-tert-butyl-5-methoxy-1-N-prop-2-enylpentane-1,2-diamine
CID 81812103
1-N-cyclopropyl-5-methoxy-1-N-prop-2-enylpentane-1,2-diamine
CID 81812153
5-methoxy-1-N-propan-2-yl-1-N-prop-2-enylpentane-1,2-diamine
CID 81812392
N-(5-methoxypentyl)cyclohex-2-en-1-amine
CID 105934830
5-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 106315064
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine (CID 114410617) is 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine is COCCCC(N)CN1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine?
The InChIKey is SVEYAYMPVGMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-9-5-6-11(12)10-13-7-3-2-4-8-13/h2-3,11H,4-10,12H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine?
1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-5-methoxypentan-2-amine is sourced from PubChem (CID 114410617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).