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

C13H26N2O — CID 114411047

IUPAC6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine
SMILESCOCC1=CCN(CCCCC(C)N)CC1
InChIInChI=1S/C13H26N2O/c1-12(14)5-3-4-8-15-9-6-13(7-10-15)11-16-2/h6,12H,3-5,7-11,14H2,1-2H3
InChIKeyADDJMTIUJHFYGX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds7

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

6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine (PubChem CID 114411047) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine.

Molecular Properties

Compound Name6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine
PubChem CID114411047
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine
SMILESCOCC1=CCN(CCCCC(C)N)CC1
InChIInChI=1S/C13H26N2O/c1-12(14)5-3-4-8-15-9-6-13(7-10-15)11-16-2/h6,12H,3-5,7-11,14H2,1-2H3
InChIKeyADDJMTIUJHFYGX-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methoxymethanamine
CID 20756947
N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 70432496
(2E)-N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 140339732
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
4-(methoxymethyl)-1-[(2-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106741220
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4,4-dimethylpentan-1-amine
CID 107473676
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-4,4-dimethylpentan-3-amine
CID 113581621
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3,3-dimethylhexan-1-amine
CID 113581630
7-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-amine
CID 113581631
4-(methoxymethyl)-1-(3-piperidin-2-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581634
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine?
The IUPAC name of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine (CID 114411047) is 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine.
What is the SMILES notation for 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine?
The canonical SMILES for 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine is COCC1=CCN(CCCCC(C)N)CC1.
What is the InChIKey of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine?
The InChIKey is ADDJMTIUJHFYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(14)5-3-4-8-15-9-6-13(7-10-15)11-16-2/h6,12H,3-5,7-11,14H2,1-2H3.
What are the key properties of 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine?
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-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 6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-2-amine is sourced from PubChem (CID 114411047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).