1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine

C17H32N2O — CID 63023501

IUPAC1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CN1CCOCC1)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H32N2O/c1-13(12-19-7-9-20-10-8-19)18-15-11-14-5-6-17(15,4)16(14,2)3/h13-15,18H,5-12H2,1-4H3
InChIKeyRWURQJPXGACOBG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds4

About 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63023501) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63023501
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(CN1CCOCC1)NC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H32N2O/c1-13(12-19-7-9-20-10-8-19)18-15-11-14-5-6-17(15,4)16(14,2)3/h13-15,18H,5-12H2,1-4H3
InChIKeyRWURQJPXGACOBG-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 63023501) is 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine is CC(CN1CCOCC1)NC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RWURQJPXGACOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(12-19-7-9-20-10-8-19)18-15-11-14-5-6-17(15,4)16(14,2)3/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(1-morpholin-4-ylpropan-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63023501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).