1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C10H17N — CID 3922441

IUPAC1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILES[H]/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C10H17N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7,11H,4-6H2,1-3H3/b11-8+
InChIKeyKCIBGEFMLVXSJL-DHZHZOJOSA-N
MW151.25 g/mol
LogP2.85
Rot. Bonds

About 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 3922441) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID3922441
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILES[H]/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C10H17N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7,11H,4-6H2,1-3H3/b11-8+
InChIKeyKCIBGEFMLVXSJL-DHZHZOJOSA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 3922441) is 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is [H]/N=C1\CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is KCIBGEFMLVXSJL-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7,11H,4-6H2,1-3H3/b11-8+.
What are the key properties of 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 3922441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).