N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C14H27NO — CID 80720593

IUPACN-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CC)CNC1CC2CCC1O2
InChIInChI=1S/C14H27NO/c1-3-5-6-11(4-2)10-15-13-9-12-7-8-14(13)16-12/h11-15H,3-10H2,1-2H3
InChIKeyMJCUADLDZIOHCM-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds7

About N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80720593) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80720593
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCCCC(CC)CNC1CC2CCC1O2
InChIInChI=1S/C14H27NO/c1-3-5-6-11(4-2)10-15-13-9-12-7-8-14(13)16-12/h11-15H,3-10H2,1-2H3
InChIKeyMJCUADLDZIOHCM-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715916
1-octoxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
CID 80716044
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296
2-(2-ethylhexylamino)cyclohexan-1-ol
CID 60714898
4-(2-ethylhexylamino)oxolan-3-ol
CID 107820067
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine
CID 43632210
N-(3-ethylheptyl)-2-methyloxolan-3-amine
CID 115885895

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80720593) is N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CCCCC(CC)CNC1CC2CCC1O2.
What is the InChIKey of N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is MJCUADLDZIOHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-11(4-2)10-15-13-9-12-7-8-14(13)16-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80720593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).