N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine

C18H36N2O2 — CID 128963377

IUPACN-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)C1CC(NCCCN2CCOCC2)CC(C(C)C)O1
InChIInChI=1S/C18H36N2O2/c1-14(2)17-12-16(13-18(22-17)15(3)4)19-6-5-7-20-8-10-21-11-9-20/h14-19H,5-13H2,1-4H3
InChIKeyABLARZIPFNVEDP-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.53
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine

N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine (PubChem CID 128963377) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine
PubChem CID128963377
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)C1CC(NCCCN2CCOCC2)CC(C(C)C)O1
InChIInChI=1S/C18H36N2O2/c1-14(2)17-12-16(13-18(22-17)15(3)4)19-6-5-7-20-8-10-21-11-9-20/h14-19H,5-13H2,1-4H3
InChIKeyABLARZIPFNVEDP-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.53
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-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine (CID 128963377) is N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine is CC(C)C1CC(NCCCN2CCOCC2)CC(C(C)C)O1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine?
The InChIKey is ABLARZIPFNVEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-14(2)17-12-16(13-18(22-17)15(3)4)19-6-5-7-20-8-10-21-11-9-20/h14-19H,5-13H2,1-4H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine?
N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine has a molecular weight of 312.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2,6-di(propan-2-yl)oxan-4-amine is sourced from PubChem (CID 128963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).