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

C15H28N2O — CID 114172727

IUPACN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(CC2CCC(CNC(C)C)O2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)16-9-14-6-7-15(18-14)11-17-8-4-5-13(3)10-17/h5,12,14-16H,4,6-11H2,1-3H3
InChIKeyYIESLTPWNVYCRK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.18
Rot. Bonds5

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

N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 114172727) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID114172727
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(CC2CCC(CNC(C)C)O2)C1
InChIInChI=1S/C15H28N2O/c1-12(2)16-9-14-6-7-15(18-14)11-17-8-4-5-13(3)10-17/h5,12,14-16H,4,6-11H2,1-3H3
InChIKeyYIESLTPWNVYCRK-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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]propan-2-amine?
The IUPAC name of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 114172727) is N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine is CC1=CCCN(CC2CCC(CNC(C)C)O2)C1.
What is the InChIKey of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is YIESLTPWNVYCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)16-9-14-6-7-15(18-14)11-17-8-4-5-13(3)10-17/h5,12,14-16H,4,6-11H2,1-3H3.
What are the key properties of N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 2.18, 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]propan-2-amine is sourced from PubChem (CID 114172727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).