2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol

C15H29NO2 — CID 103922054

IUPAC2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1C2CCOC2C1(C)C
InChIInChI=1S/C15H29NO2/c1-5-15(6-2,10-17)9-16-12-11-7-8-18-13(11)14(12,3)4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyMHKYXJYSVBUSIA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.19
Rot. Bonds6

About 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 103922054) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID103922054
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC1C2CCOC2C1(C)C
InChIInChI=1S/C15H29NO2/c1-5-15(6-2,10-17)9-16-12-11-7-8-18-13(11)14(12,3)4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyMHKYXJYSVBUSIA-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol with MolForge

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Related Compounds

N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine hydrochloride
CID 53621896
N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 53621897
7,7-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864113
7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872029
7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103785787
3-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103921054
3-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1,1-difluoropropan-2-ol
CID 103921694
3-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2,2-difluoropropan-1-ol
CID 104860446
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974
7,7-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113826604
N-(2,2-difluoroethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115405849
7,7-dimethyl-N-(5,5,5-trifluoropentyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115517386

Frequently Asked Questions

What is the IUPAC name of 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol (CID 103922054) is 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC1C2CCOC2C1(C)C.
What is the InChIKey of 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is MHKYXJYSVBUSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-15(6-2,10-17)9-16-12-11-7-8-18-13(11)14(12,3)4/h11-13,16-17H,5-10H2,1-4H3.
What are the key properties of 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 103922054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).