N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine

C16H32N2O — CID 55051380

IUPACN-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCCC2CC)CCOC1
InChIInChI=1S/C16H32N2O/c1-3-9-17-12-16(8-11-19-14-16)13-18-10-6-5-7-15(18)4-2/h15,17H,3-14H2,1-2H3
InChIKeyMUZGTTOMPBPWNX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 55051380) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID55051380
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCCC2CC)CCOC1
InChIInChI=1S/C16H32N2O/c1-3-9-17-12-16(8-11-19-14-16)13-18-10-6-5-7-15(18)4-2/h15,17H,3-14H2,1-2H3
InChIKeyMUZGTTOMPBPWNX-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-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-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 55051380) is N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCCCC2CC)CCOC1.
What is the InChIKey of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is MUZGTTOMPBPWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-9-17-12-16(8-11-19-14-16)13-18-10-6-5-7-15(18)4-2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55051380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).