1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine

C13H19NO — CID 173386009

IUPAC1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine
SMILESCC#CON=C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H19NO/c1-5-8-15-14-11-9-10-6-7-13(11,4)12(10,2)3/h10H,6-7,9H2,1-4H3
InChIKeyUSSSRNXUEUGRJQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.19
Rot. Bonds1

About 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine

1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine (PubChem CID 173386009) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine
PubChem CID173386009
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine
SMILESCC#CON=C1CC2CCC1(C)C2(C)C
InChIInChI=1S/C13H19NO/c1-5-8-15-14-11-9-10-6-7-13(11,4)12(10,2)3/h10H,6-7,9H2,1-4H3
InChIKeyUSSSRNXUEUGRJQ-UHFFFAOYSA-N
XLogP3.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine (CID 173386009) is 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine is CC#CON=C1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine?
The InChIKey is USSSRNXUEUGRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-8-15-14-11-9-10-6-7-13(11,4)12(10,2)3/h10H,6-7,9H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine?
1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine has a molecular weight of 205.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-prop-1-ynoxybicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 173386009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).