(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine

C10H16N2 — CID 134858330

IUPAC(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine
SMILES[H]/N=C1C(=N\[H])\[C@H]2CC[C@]\1(C)C2(C)C
InChIInChI=1S/C10H16N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6,11-12H,4-5H2,1-3H3/b11-7+,12-8+/t6-,10+/m1/s1
InChIKeyLMKRIIKKJAKMEI-FVFOKTBTSA-N
MW164.25 g/mol
LogP2.48
Rot. Bonds

About (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine

(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine (PubChem CID 134858330) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine.

Molecular Properties

Compound Name(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine
PubChem CID134858330
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine
SMILES[H]/N=C1C(=N\[H])\[C@H]2CC[C@]\1(C)C2(C)C
InChIInChI=1S/C10H16N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6,11-12H,4-5H2,1-3H3/b11-7+,12-8+/t6-,10+/m1/s1
InChIKeyLMKRIIKKJAKMEI-FVFOKTBTSA-N
XLogP2.48
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine?
The IUPAC name of (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine (CID 134858330) is (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine.
What is the SMILES notation for (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine?
The canonical SMILES for (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine is [H]/N=C1C(=N\[H])\[C@H]2CC[C@]\1(C)C2(C)C.
What is the InChIKey of (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine?
The InChIKey is LMKRIIKKJAKMEI-FVFOKTBTSA-N. The full InChI is InChI=1S/C10H16N2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6,11-12H,4-5H2,1-3H3/b11-7+,12-8+/t6-,10+/m1/s1.
What are the key properties of (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine?
(1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diimine is sourced from PubChem (CID 134858330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).