N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

C14H26N2O — CID 106316705

IUPACN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCC=C(C)C2)O1
InChIInChI=1S/C14H26N2O/c1-3-15-9-13-6-7-14(17-13)11-16-8-4-5-12(2)10-16/h5,13-15H,3-4,6-11H2,1-2H3
InChIKeyLUBVLKWZRNXOFK-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.80
Rot. Bonds5

About N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine

N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (PubChem CID 106316705) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
PubChem CID106316705
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCC=C(C)C2)O1
InChIInChI=1S/C14H26N2O/c1-3-15-9-13-6-7-14(17-13)11-16-8-4-5-12(2)10-16/h5,13-15H,3-4,6-11H2,1-2H3
InChIKeyLUBVLKWZRNXOFK-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75443988
[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490134
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 114490620
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 114490649
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 114490695
N-methyl-1-[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methanamine
CID 114490720
N-[[5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]ethanamine
CID 114490730
N-[2-(cyclohexen-1-yl)ethyl]-N'-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine
CID 16076660
(3Z,5Z)-2,5-dimethylhepta-1,3,5-triene;N-methyl-1-(oxolan-2-yl)methanamine;molecular hydrogen;uranium
CID 144380498
(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 146535821
1-cyclohex-2-en-1-yl-N-(oxolan-2-ylmethyl)methanamine
CID 24077809
1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43765468

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine (CID 106316705) is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCC=C(C)C2)O1.
What is the InChIKey of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
The InChIKey is LUBVLKWZRNXOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-15-9-13-6-7-14(17-13)11-16-8-4-5-12(2)10-16/h5,13-15H,3-4,6-11H2,1-2H3.
What are the key properties of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine?
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine has a molecular weight of 238.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106316705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).