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

C16H30N2O — CID 55025884

IUPAC1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCN1CCOCC1)C2
InChIInChI=1S/C16H30N2O/c1-15(2)13-4-5-16(15,3)14(12-13)17-6-7-18-8-10-19-11-9-18/h13-14,17H,4-12H2,1-3H3
InChIKeyYRDSHBLBELHITE-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds4

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

1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 55025884) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID55025884
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCN1CCOCC1)C2
InChIInChI=1S/C16H30N2O/c1-15(2)13-4-5-16(15,3)14(12-13)17-6-7-18-8-10-19-11-9-18/h13-14,17H,4-12H2,1-3H3
InChIKeyYRDSHBLBELHITE-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.12
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-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine (CID 55025884) is 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCCN1CCOCC1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is YRDSHBLBELHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-15(2)13-4-5-16(15,3)14(12-13)17-6-7-18-8-10-19-11-9-18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 266.43 g/mol, XLogP of 2.12, 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-(2-morpholin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 55025884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).