1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine

C17H32N2O — CID 60662771

IUPAC1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCCN1CCOCC1)C2
InChIInChI=1S/C17H32N2O/c1-16(2)14-5-6-17(16,3)15(13-14)18-7-4-8-19-9-11-20-12-10-19/h14-15,18H,4-13H2,1-3H3
InChIKeyRTUQZFCATGBDBD-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds5

About 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 60662771) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID60662771
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCCN1CCOCC1)C2
InChIInChI=1S/C17H32N2O/c1-16(2)14-5-6-17(16,3)15(13-14)18-7-4-8-19-9-11-20-12-10-19/h14-15,18H,4-13H2,1-3H3
InChIKeyRTUQZFCATGBDBD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine (CID 60662771) is 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCCCN1CCOCC1)C2.
What is the InChIKey of 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RTUQZFCATGBDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)14-5-6-17(16,3)15(13-14)18-7-4-8-19-9-11-20-12-10-19/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 2.51, 5 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-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 60662771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).