N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine

C16H30N2O2 — CID 114413442

IUPACN-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CC=C(COC)CC2)O1
InChIInChI=1S/C16H30N2O2/c1-3-8-17-11-15-4-5-16(20-15)12-18-9-6-14(7-10-18)13-19-2/h6,15-17H,3-5,7-13H2,1-2H3
InChIKeyJMQIQPGNFIGSLX-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.81
Rot. Bonds8

About N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 114413442) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID114413442
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN2CC=C(COC)CC2)O1
InChIInChI=1S/C16H30N2O2/c1-3-8-17-11-15-4-5-16(20-15)12-18-9-6-14(7-10-18)13-19-2/h6,15-17H,3-5,7-13H2,1-2H3
InChIKeyJMQIQPGNFIGSLX-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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
(2Z)-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837039
(E)-N-(2-methoxyethyl)-2-methyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82838798
(2E)-N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82839427
[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
CID 106314802
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 106316674
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 106316705
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106316749
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 106316750
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 106316821

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 114413442) is N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN2CC=C(COC)CC2)O1.
What is the InChIKey of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is JMQIQPGNFIGSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-8-17-11-15-4-5-16(20-15)12-18-9-6-14(7-10-18)13-19-2/h6,15-17H,3-5,7-13H2,1-2H3.
What are the key properties of N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114413442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).