N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

C13H26N2O2 — CID 62263535

IUPACN-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCOCC2)CCOC1
InChIInChI=1S/C13H26N2O2/c1-2-4-14-10-13(3-7-17-12-13)11-15-5-8-16-9-6-15/h14H,2-12H2,1H3
InChIKeyMOXFFLSLESYSQP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds6

About N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62263535) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62263535
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCOCC2)CCOC1
InChIInChI=1S/C13H26N2O2/c1-2-4-14-10-13(3-7-17-12-13)11-15-5-8-16-9-6-15/h14H,2-12H2,1H3
InChIKeyMOXFFLSLESYSQP-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62263535) is N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CN2CCOCC2)CCOC1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is MOXFFLSLESYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-4-14-10-13(3-7-17-12-13)11-15-5-8-16-9-6-15/h14H,2-12H2,1H3.
What are the key properties of N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62263535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).