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

C16H30N2O — CID 106316674

IUPAC2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(CC2CCC(CNC(C)(C)C)O2)C1
InChIInChI=1S/C16H30N2O/c1-13-6-5-9-18(11-13)12-15-8-7-14(19-15)10-17-16(2,3)4/h6,14-15,17H,5,7-12H2,1-4H3
InChIKeyHYHRDQPSLUMJQI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.57
Rot. Bonds4

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

2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (PubChem CID 106316674) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
PubChem CID106316674
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine
SMILESCC1=CCCN(CC2CCC(CNC(C)(C)C)O2)C1
InChIInChI=1S/C16H30N2O/c1-13-6-5-9-18(11-13)12-15-8-7-14(19-15)10-17-16(2,3)4/h6,14-15,17H,5,7-12H2,1-4H3
InChIKeyHYHRDQPSLUMJQI-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.57
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 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine (CID 106316674) is 2-methyl-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 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-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)C)O2)C1.
What is the InChIKey of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is HYHRDQPSLUMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-6-5-9-18(11-13)12-15-8-7-14(19-15)10-17-16(2,3)4/h6,14-15,17H,5,7-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106316674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).