5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine

C15H31NO2 — CID 65164347

IUPAC5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCC1CCCO1)COCCC
InChIInChI=1S/C15H31NO2/c1-3-10-16-14(13-17-11-4-2)7-5-8-15-9-6-12-18-15/h14-16H,3-13H2,1-2H3
InChIKeyBYYCDIWNMDGSGI-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds11

About 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine

5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine (PubChem CID 65164347) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
PubChem CID65164347
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
SMILESCCCNC(CCCC1CCCO1)COCCC
InChIInChI=1S/C15H31NO2/c1-3-10-16-14(13-17-11-4-2)7-5-8-15-9-6-12-18-15/h14-16H,3-13H2,1-2H3
InChIKeyBYYCDIWNMDGSGI-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
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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Related Compounds

6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085
1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 116662096

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine?
The IUPAC name of 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine (CID 65164347) is 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine?
The canonical SMILES for 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine is CCCNC(CCCC1CCCO1)COCCC.
What is the InChIKey of 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine?
The InChIKey is BYYCDIWNMDGSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-10-16-14(13-17-11-4-2)7-5-8-15-9-6-12-18-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine?
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine is sourced from PubChem (CID 65164347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).