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

C15H28N2O — CID 114413014

IUPACN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(CN2CC=CCC2)O1
InChIInChI=1S/C15H28N2O/c1-13(2)10-16-11-14-6-7-15(18-14)12-17-8-4-3-5-9-17/h3-4,13-16H,5-12H2,1-2H3
InChIKeyKQHPURBORNTQAH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.04
Rot. Bonds6

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

N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114413014) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID114413014
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCC(CN2CC=CCC2)O1
InChIInChI=1S/C15H28N2O/c1-13(2)10-16-11-14-6-7-15(18-14)12-17-8-4-3-5-9-17/h3-4,13-16H,5-12H2,1-2H3
InChIKeyKQHPURBORNTQAH-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 114413014) is N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCC(CN2CC=CCC2)O1.
What is the InChIKey of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KQHPURBORNTQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)10-16-11-14-6-7-15(18-14)12-17-8-4-3-5-9-17/h3-4,13-16H,5-12H2,1-2H3.
What are the key properties of N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,6-dihydro-2H-pyridin-1-ylmethyl)oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114413014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).