N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

C16H34N2O — CID 55066427

IUPACN-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCN(CC)CC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-5-9-18(6-2)14-16(7-10-19-11-8-16)13-17-12-15(3)4/h15,17H,5-14H2,1-4H3
InChIKeyBDBLPVUAQNVBRZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 55066427) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID55066427
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCN(CC)CC1(CNCC(C)C)CCOCC1
InChIInChI=1S/C16H34N2O/c1-5-9-18(6-2)14-16(7-10-19-11-8-16)13-17-12-15(3)4/h15,17H,5-14H2,1-4H3
InChIKeyBDBLPVUAQNVBRZ-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 55066427) is N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine is CCCN(CC)CC1(CNCC(C)C)CCOCC1.
What is the InChIKey of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BDBLPVUAQNVBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-18(6-2)14-16(7-10-19-11-8-16)13-17-12-15(3)4/h15,17H,5-14H2,1-4H3.
What are the key properties of N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[[ethyl(propyl)amino]methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 55066427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).