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

C14H28N2O — CID 55051410

IUPACN-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC2C)CCOC1
InChIInChI=1S/C14H28N2O/c1-3-7-15-10-14(6-9-17-12-14)11-16-8-4-5-13(16)2/h13,15H,3-12H2,1-2H3
InChIKeyFSLMOTZMVSCZMY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds6

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

N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 55051410) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID55051410
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCCC2C)CCOC1
InChIInChI=1S/C14H28N2O/c1-3-7-15-10-14(6-9-17-12-14)11-16-8-4-5-13(16)2/h13,15H,3-12H2,1-2H3
InChIKeyFSLMOTZMVSCZMY-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine (CID 55051410) is N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCCC2C)CCOC1.
What is the InChIKey of N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is FSLMOTZMVSCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-7-15-10-14(6-9-17-12-14)11-16-8-4-5-13(16)2/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55051410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).