N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine

C16H33NO — CID 115835493

IUPACN-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NCC)C1CCC(C)O1
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-10-11-15(17-5-2)16-13-12-14(3)18-16/h14-17H,4-13H2,1-3H3
InChIKeyIFKOSYMAEGTQSX-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.28
Rot. Bonds10

About N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine

N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine (PubChem CID 115835493) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
PubChem CID115835493
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
SMILESCCCCCCCCC(NCC)C1CCC(C)O1
InChIInChI=1S/C16H33NO/c1-4-6-7-8-9-10-11-15(17-5-2)16-13-12-14(3)18-16/h14-17H,4-13H2,1-3H3
InChIKeyIFKOSYMAEGTQSX-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyloxolan-2-yl)heptylhydrazine
CID 105294090
N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
CID 115837035
N-ethyl-1-(5-methyloxolan-2-yl)hex-4-yn-1-amine
CID 105037340
4-methoxy-1-(5-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105054940
N-ethyl-3-methyl-1-(5-methyloxolan-2-yl)pentan-1-amine
CID 115846266
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
4-methyl-1-(5-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 115834351
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-(5-methyloxolan-2-yl)-N-propylpropan-1-amine
CID 114979569

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine?
The IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine (CID 115835493) is N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine is CCCCCCCCC(NCC)C1CCC(C)O1.
What is the InChIKey of N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine?
The InChIKey is IFKOSYMAEGTQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-8-9-10-11-15(17-5-2)16-13-12-14(3)18-16/h14-17H,4-13H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine?
N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine is sourced from PubChem (CID 115835493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).