6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C17H30N2O — CID 114948121

IUPAC6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O/c1-16(2)15-14(7-8-20-15)17(16,18)10-19-9-13(11-3-4-11)12-5-6-12/h11-15,19H,3-10,18H2,1-2H3
InChIKeyFSPRUKKTLJVZMC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.15
Rot. Bonds6

About 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948121) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948121
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCC(C1CC1)C1CC1
InChIInChI=1S/C17H30N2O/c1-16(2)15-14(7-8-20-15)17(16,18)10-19-9-13(11-3-4-11)12-5-6-12/h11-15,19H,3-10,18H2,1-2H3
InChIKeyFSPRUKKTLJVZMC-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

7,7-Dimethyl-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105946052
7,7-Dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106219226
7,7-Dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106293673
7,7-Dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947442
6-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947731
7,7-Dimethyl-6-[(3,3,3-trifluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947957
6-[(2,2-Difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948240
7,7-Dimethyl-6-[(4,4,4-trifluorobutylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948244
7,7-Dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948246
N-(dicyclopropylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863485
N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine
CID 64863720
N-(2,2-dicyclopropylethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 65559865

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948121) is 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C2OCCC2C1(N)CNCC(C1CC1)C1CC1.
What is the InChIKey of 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is FSPRUKKTLJVZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(2)15-14(7-8-20-15)17(16,18)10-19-9-13(11-3-4-11)12-5-6-12/h11-15,19H,3-10,18H2,1-2H3.
What are the key properties of 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 278.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dicyclopropylethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).