N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine

C15H27NO2 — CID 65164618

IUPACN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CC2CCC1O2
InChIInChI=1S/C15H27NO2/c1-2-16-14(7-5-11-4-3-9-17-11)13-10-12-6-8-15(13)18-12/h11-16H,2-10H2,1H3
InChIKeyOOSWENWGCJMNKV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds6

About N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65164618) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65164618
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CC2CCC1O2
InChIInChI=1S/C15H27NO2/c1-2-16-14(7-5-11-4-3-9-17-11)13-10-12-6-8-15(13)18-12/h11-16H,2-10H2,1H3
InChIKeyOOSWENWGCJMNKV-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993666
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65164820
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65399101
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 79088596
4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 116726844
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
N-ethyl-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
CID 79179487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine (CID 65164618) is N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)C1CC2CCC1O2.
What is the InChIKey of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is OOSWENWGCJMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-16-14(7-5-11-4-3-9-17-11)13-10-12-6-8-15(13)18-12/h11-16H,2-10H2,1H3.
What are the key properties of N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65164618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).