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

C15H30N2O — CID 114413507

IUPACN-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
SMILESCCNCCCCCCN1CC=C(COC)CC1
InChIInChI=1S/C15H30N2O/c1-3-16-10-6-4-5-7-11-17-12-8-15(9-13-17)14-18-2/h8,16H,3-7,9-14H2,1-2H3
InChIKeyZLLKBPFBFBFHHS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds10

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

N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine (PubChem CID 114413507) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
PubChem CID114413507
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
SMILESCCNCCCCCCN1CC=C(COC)CC1
InChIInChI=1S/C15H30N2O/c1-3-16-10-6-4-5-7-11-17-12-8-15(9-13-17)14-18-2/h8,16H,3-7,9-14H2,1-2H3
InChIKeyZLLKBPFBFBFHHS-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The IUPAC name of N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine (CID 114413507) is N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine.
What is the SMILES notation for N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The canonical SMILES for N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine is CCNCCCCCCN1CC=C(COC)CC1.
What is the InChIKey of N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
The InChIKey is ZLLKBPFBFBFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-10-6-4-5-7-11-17-12-8-15(9-13-17)14-18-2/h8,16H,3-7,9-14H2,1-2H3.
What are the key properties of N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine?
N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine is sourced from PubChem (CID 114413507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).