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

C14H28N2O2 — CID 55065990

IUPACN-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCOCC2)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-2-5-15-12-14(3-8-17-9-4-14)13-16-6-10-18-11-7-16/h15H,2-13H2,1H3
InChIKeyJDGVHLXUZACAIE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.12
Rot. Bonds6

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

N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (PubChem CID 55065990) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
PubChem CID55065990
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCOCC2)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-2-5-15-12-14(3-8-17-9-4-14)13-16-6-10-18-11-7-16/h15H,2-13H2,1H3
InChIKeyJDGVHLXUZACAIE-UHFFFAOYSA-N
XLogP1.12
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.12
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-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine (CID 55065990) is N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2CCOCC2)CCOCC1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
The InChIKey is JDGVHLXUZACAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-5-15-12-14(3-8-17-9-4-14)13-16-6-10-18-11-7-16/h15H,2-13H2,1H3.
What are the key properties of N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine?
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55065990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).