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

C13H26N2O — CID 114410986

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
SMILESCCCC(N)CCN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-13(14)7-10-15-8-5-12(6-9-15)11-16-2/h5,13H,3-4,6-11,14H2,1-2H3
InChIKeyUQHXVPIIYBVEPK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds7

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine (PubChem CID 114410986) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
PubChem CID114410986
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
SMILESCCCC(N)CCN1CC=C(COC)CC1
InChIInChI=1S/C13H26N2O/c1-3-4-13(14)7-10-15-8-5-12(6-9-15)11-16-2/h5,13H,3-4,6-11,14H2,1-2H3
InChIKeyUQHXVPIIYBVEPK-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methylbutan-2-amine
CID 114411053
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114411060
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
CID 114413427
[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]methanamine
CID 117003393
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
1-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114411039
3-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethyl-N-propylpropan-1-amine
CID 114413409
(2S)-2-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104921275
2-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 114411038
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385
(1S)-1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 104921336

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine (CID 114410986) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine is CCCC(N)CCN1CC=C(COC)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine?
The InChIKey is UQHXVPIIYBVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-13(14)7-10-15-8-5-12(6-9-15)11-16-2/h5,13H,3-4,6-11,14H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.78, 7 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]hexan-3-amine is sourced from PubChem (CID 114410986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).