N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

C15H32N2O — CID 55066426

IUPACN-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CC)CCC)CCOCC1
InChIInChI=1S/C15H32N2O/c1-4-9-16-13-15(7-11-18-12-8-15)14-17(6-3)10-5-2/h16H,4-14H2,1-3H3
InChIKeyZRXRERUIHBHNGQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 55066426) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID55066426
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CC)CCC)CCOCC1
InChIInChI=1S/C15H32N2O/c1-4-9-16-13-15(7-11-18-12-8-15)14-17(6-3)10-5-2/h16H,4-14H2,1-3H3
InChIKeyZRXRERUIHBHNGQ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine (CID 55066426) is N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN(CC)CCC)CCOCC1.
What is the InChIKey of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is ZRXRERUIHBHNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-9-16-13-15(7-11-18-12-8-15)14-17(6-3)10-5-2/h16H,4-14H2,1-3H3.
What are the key properties of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55066426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).